N-(1-methoxypropan-2-yl)-2-(pyridin-2-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 709596
• Molecular Formular: C16H21N5O
• Molecular Mass: 299.37084
• Monoisotopic Mass: 299.17461032
• SMILES: c1(nc(nc2c1CCNC2)c1ncccc1)NC(COC)C
• Canonical SMILES: COCC(Nc1nc(nc2c1CCNC2)c1ccccn1)C
• InChI: InChI=1S/C16H21N5O/c1-11(10-22-2)19-15-12-6-8-17-9-14(12)20-16(21-15)13-5-3-4-7-18-13/h3-5,7,11,17H,6,8-10H2,1-2H3,(H,19,20,21)
• InChIKey: SHLCQNKLUXZCGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methoxypropan-2-yl)-2-(pyridin-2-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-(1-methoxypropan-2-yl)-2-(pyridin-2-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N-(2-methoxy-1-methylethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.321493
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.79017025
• LogD (pH = 7.4): 0.96460277
• Log P: 1.7408477
• Molar Refractivity: 97.6095 cm^3
• Polarizability: 33.35997 Å^3
• Polar Surface Area: 71.96 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.26
• LOG S: -0.15
• Polar Surface Area: 71.96 Å^2
• Rotatable Bonds: 5