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

• ChemBase ID: 382934
• Molecular Formular: C17H21N7O
• Molecular Mass: 339.39494
• Monoisotopic Mass: 339.18075833
• SMILES: c12c(C(=O)N3CCCC3)nc(nc1CCN(C2)c1nccnc1)NC
• Canonical SMILES: CNc1nc2CCN(Cc2c(n1)C(=O)N1CCCC1)c1nccnc1
• InChI: InChI=1S/C17H21N7O/c1-18-17-21-13-4-9-24(14-10-19-5-6-20-14)11-12(13)15(22-17)16(25)23-7-2-3-8-23/h5-6,10H,2-4,7-9,11H2,1H3,(H,18,21,22)
• InChIKey: AORKLXNDXYPTNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.06071
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 0.35200843
• LogD (pH = 7.4): 0.35227796
• Log P: 0.3522814
• Molar Refractivity: 96.6756 cm^3
• Polarizability: 34.694866 Å^3
• Polar Surface Area: 87.14 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: -1.11
• LOG S: -2.04
• Polar Surface Area: 87.14 Å^2
• Rotatable Bonds: 3