Chemical Properties of 2,4,6-pyrimidinetriamine

InChI

InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)

InChI Key

JTTIOYHBNXDJOD-UHFFFAOYSA-N

Formula

C4H7N5

SMILES

Nc1cc(N)nc(N)n1

Molecular Weight¹

125.13

Other Names

• pyrimidine-2,4,6-triamine

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	125.40	kJ/mol	298.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	[7.14e-05; 5.93e-04]	kPa	[391.14; 413.15]
Pvap	7.42e-05	kPa	391.14	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	7.31e-05	kPa	391.14	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	7.14e-05	kPa	391.14	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	9.48e-05	kPa	393.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	8.89e-05	kPa	393.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	8.51e-05	kPa	393.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	1.10e-04	kPa	395.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	1.07e-04	kPa	395.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	1.00e-04	kPa	395.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	1.41e-04	kPa	397.13	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	1.31e-04	kPa	397.13	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	1.24e-04	kPa	397.13	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	1.67e-04	kPa	399.13	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	1.66e-04	kPa	399.13	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	1.48e-04	kPa	399.13	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	2.00e-04	kPa	401.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	1.88e-04	kPa	401.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	1.86e-04	kPa	401.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	2.47e-04	kPa	403.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	2.37e-04	kPa	403.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	2.15e-04	kPa	403.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	2.92e-04	kPa	405.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	2.87e-04	kPa	405.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	2.58e-04	kPa	405.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	3.45e-04	kPa	407.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	3.16e-04	kPa	407.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	3.19e-04	kPa	407.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	3.93e-04	kPa	409.12	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	4.07e-04	kPa	409.12	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	3.75e-04	kPa	409.12	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	4.84e-04	kPa	411.12	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	4.87e-04	kPa	411.12	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	4.39e-04	kPa	411.12	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	5.93e-04	kPa	413.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	5.40e-04	kPa	413.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
Pvap	5.36e-04	kPa	413.15	Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines

Similar Compounds

Find more compounds similar to 2,4,6-pyrimidinetriamine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines
• McGowan Method

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