N,N-dimethyl-7-(oxolane-2-carbonyl)-2-(pyridin-3-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 511115
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: n1c(c2c(nc1c1cnccc1)CN(C(=O)C1OCCC1)CC2)N(C)C
• Canonical SMILES: O=C(N1CCc2c(C1)nc(nc2N(C)C)c1cccnc1)C1CCCO1
• InChI: InChI=1S/C19H23N5O2/c1-23(2)18-14-7-9-24(19(25)16-6-4-10-26-16)12-15(14)21-17(22-18)13-5-3-8-20-11-13/h3,5,8,11,16H,4,6-7,9-10,12H2,1-2H3
• InChIKey: MMVWCQTZZWIVKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-7-(oxolane-2-carbonyl)-2-(pyridin-3-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N,N-dimethyl-7-(oxolane-2-carbonyl)-2-(pyridin-3-yl)-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N,N-dimethyl-2-pyridin-3-yl-7-(tetrahydrofuran-2-ylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.891115
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.7272489
• LogD (pH = 7.4): 1.7490606
• Log P: 1.7493454
• Molar Refractivity: 110.0596 cm^3
• Polarizability: 37.913166 Å^3
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.48
• LOG S: -2.19
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 3