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

• ChemBase ID: 530405
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: c12c(C(=O)N3CCCC3)nc(nc2CCN(C(=O)c2c(occ2)C)C1)NC
• Canonical SMILES: CNc1nc2CCN(Cc2c(n1)C(=O)N1CCCC1)C(=O)c1ccoc1C
• InChI: InChI=1S/C19H23N5O3/c1-12-13(6-10-27-12)17(25)24-9-5-15-14(11-24)16(22-19(20-2)21-15)18(26)23-7-3-4-8-23/h6,10H,3-5,7-9,11H2,1-2H3,(H,20,21,22)
• InChIKey: UADVPFZNXSSROS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.846157
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.7229038
• LogD (pH = 7.4): 0.7229239
• Log P: 0.7229241
• Molar Refractivity: 102.7822 cm^3
• Polarizability: 36.930187 Å^3
• Polar Surface Area: 91.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.76
• LOG S: -2.55
• Polar Surface Area: 91.57 Å^2
• Rotatable Bonds: 3