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

• ChemBase ID: 746369
• Molecular Formular: C20H26N6O
• Molecular Mass: 366.46004
• Monoisotopic Mass: 366.21680948
• SMILES: c1(c2c(nc(n1)NC)CCN(C2)Cc1nc(ccc1)C)C(=O)N1CCCC1
• Canonical SMILES: CNc1nc2CCN(Cc2c(n1)C(=O)N1CCCC1)Cc1cccc(n1)C
• InChI: InChI=1S/C20H26N6O/c1-14-6-5-7-15(22-14)12-25-11-8-17-16(13-25)18(24-20(21-2)23-17)19(27)26-9-3-4-10-26/h5-7H,3-4,8-13H2,1-2H3,(H,21,23,24)
• InChIKey: FNFIKKJXZYCHPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-6-[(6-methylpyridin-2-yl)methyl]-4-(pyrrolidine-1-carbonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine
• IUPAC Traditional name: N-methyl-6-[(6-methylpyridin-2-yl)methyl]-4-(pyrrolidine-1-carbonyl)-5H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine
• Synonyms: N-methyl-6-[(6-methyl-2-pyridinyl)methyl]-4-(1-pyrrolidinylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.061827
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.5852051
• LogD (pH = 7.4): 1.0123081
• Log P: 1.0216913
• Molar Refractivity: 106.7024 cm^3
• Polarizability: 39.542442 Å^3
• Polar Surface Area: 74.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.88
• LOG S: -1.13
• Polar Surface Area: 74.25 Å^2
• Rotatable Bonds: 4