N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 653496
• Molecular Formular: C15H22N6
• Molecular Mass: 286.37538
• Monoisotopic Mass: 286.19059473
• SMILES: c1(C(Nc2c3c(ncn2)CNCC3)C(C)C)n(ccn1)C
• Canonical SMILES: CC(C(c1nccn1C)Nc1ncnc2c1CCNC2)C
• InChI: InChI=1S/C15H22N6/c1-10(2)13(15-17-6-7-21(15)3)20-14-11-4-5-16-8-12(11)18-9-19-14/h6-7,9-10,13,16H,4-5,8H2,1-3H3,(H,18,19,20)
• InChIKey: UDIDDDNTFLXOSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.170256
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.6361115
• LogD (pH = 7.4): 0.57157767
• Log P: 1.1557854
• Molar Refractivity: 84.5456 cm^3
• Polarizability: 31.449093 Å^3
• Polar Surface Area: 67.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.31
• LOG S: -1.86
• Polar Surface Area: 67.66 Å^2
• Rotatable Bonds: 4