Chemical Properties of Pyrimidin-4-ol, 2-dimethylamino, 5,6-dimethyl

InChI

InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)

InChI Key

MUEHLDAHWSCFAG-UHFFFAOYSA-N

Formula

C8H13N3O

SMILES

Cc1nc(N(C)C)nc(O)c1C

Molecular Weight¹

167.21

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.6220		Relay (... Calculated Property
ΔfG°	187.05	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-113.01	kJ/mol	Relay (... Calculated Property
ΔvapH°	100.85	kJ/mol	Relay (... Calculated Property
IE	7.94	eV	Relay (... Calculated Property
log10WS	-1.47		Relay (... Calculated Property
logPoct/wat	0.865		Crippen Calculated Property
McVol	135.630	ml/mol	McGowan Calculated Property
Pc	4726.77	kPa	Relay (... Calculated Property ⚠️
Inp	[1600.00; 1600.00]
Inp	1600.00		NIST
Inp	1600.00		NIST
Tboil	531.29	K	Relay (... Calculated Property
Tc	781.75	K	Relay (... Calculated Property
Tfus	476.50	K	Relay (... Calculated Property
Vc	0.509	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Pyrimidin-4-ol, 2-dimethylamino, 5,6-dimethyl.

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
• McGowan Method
• NIST Webbook

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