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

• ChemBase ID: 642017
• Molecular Formular: C20H25N7O
• Molecular Mass: 379.4588
• Monoisotopic Mass: 379.21205846
• SMILES: c12c(C(=O)N3CCCC3)nc(nc1CCN(c1cc(C3CC3)ncn1)C2)NC
• Canonical SMILES: CNc1nc2CCN(Cc2c(n1)C(=O)N1CCCC1)c1ncnc(c1)C1CC1
• InChI: InChI=1S/C20H25N7O/c1-21-20-24-15-6-9-27(17-10-16(13-4-5-13)22-12-23-17)11-14(15)18(25-20)19(28)26-7-2-3-8-26/h10,12-13H,2-9,11H2,1H3,(H,21,24,25)
• InChIKey: RCYBNRJXBRPBHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.060713
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.4759346
• LogD (pH = 7.4): 1.7698318
• Log P: 1.7752823
• Molar Refractivity: 109.6444 cm^3
• Polarizability: 39.401203 Å^3
• Polar Surface Area: 87.14 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: -0.31
• LOG S: -3.01
• Polar Surface Area: 87.14 Å^2
• Rotatable Bonds: 4