Chemical Properties of 4-Methylpteridine

InChI

InChI=1S/C7H6N4/c1-5-6-7(11-4-10-5)9-3-2-8-6/h2-4H,1H3

InChI Key

WESDBLALURHRDL-UHFFFAOYSA-N

Formula

C7H6N4

SMILES

Cc1ncnc2nccnc12

Molecular Weight¹

146.15

• 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).
• 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	0.4362		Relay (1.0) Calculated Property
ΔfG°	342.16	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	298.40	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	68.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	[-0.47; -0.47]
log10WS	-0.47		Estimated Solubility
log10WS	-0.47		Rytting (2005)
logPoct/wat	0.728		Crippen Calculated Property
McVol	106.190	ml/mol	McGowan Calculated Property
Pc	5767.36	kPa	Relay (1.0-beta) Calculated Property
Tboil	516.55	K	Relay (1.0) Calculated Property
Tc	836.92	K	Relay (1.0) Calculated Property
Tfus	398.60	K	Relay (1.0) Calculated Property
Vc	0.409	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4-Methylpteridine.

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
• Estimated Solubility Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method

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