N2,N2,N4-trimethyl-N4-[(1-methyl-1H-imidazol-2-yl)methyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine

• ChemBase ID: 709860
• Molecular Formular: C15H23N7
• Molecular Mass: 301.39002
• Monoisotopic Mass: 301.20149377
• SMILES: n1c(c2c(nc1N(C)C)CNCC2)N(Cc1n(ccn1)C)C
• Canonical SMILES: CN(c1nc(nc2c1CCNC2)N(C)C)Cc1nccn1C
• InChI: InChI=1S/C15H23N7/c1-20(2)15-18-12-9-16-6-5-11(12)14(19-15)22(4)10-13-17-7-8-21(13)3/h7-8,16H,5-6,9-10H2,1-4H3
• InChIKey: WRTHJWHISNJPDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2,N4-trimethyl-N4-[(1-methyl-1H-imidazol-2-yl)methyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2,N4-trimethyl-N4-[(1-methylimidazol-2-yl)methyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• Synonyms: N~2~,N~2~,N~4~-trimethyl-N~4~-[(1-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.750681
• LogD (pH = 7.4): 0.502934
• Log P: 1.1216216
• Molar Refractivity: 89.6655 cm^3
• Polarizability: 32.59236 Å^3
• Polar Surface Area: 62.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.52
• LOG S: -0.83
• Polar Surface Area: 62.11 Å^2
• Rotatable Bonds: 4