N,N,4-trimethyl-5-(5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)pyrimidin-2-amine

• ChemBase ID: 702172
• Molecular Formular: C16H19N5O
• Molecular Mass: 297.35496
• Monoisotopic Mass: 297.15896025
• SMILES: C(=O)(c1c(nc(nc1)N(C)C)C)N1Cc2c(CC1)nccc2
• Canonical SMILES: O=C(c1cnc(nc1C)N(C)C)N1CCc2c(C1)cccn2
• InChI: InChI=1S/C16H19N5O/c1-11-13(9-18-16(19-11)20(2)3)15(22)21-8-6-14-12(10-21)5-4-7-17-14/h4-5,7,9H,6,8,10H2,1-3H3
• InChIKey: DWRXWFZPUKDLKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,4-trimethyl-5-(5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)pyrimidin-2-amine
• IUPAC Traditional name: 5-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-N,N,4-trimethylpyrimidin-2-amine
• Synonyms: 5-(7,8-dihydro-1,6-naphthyridin-6(5H)-ylcarbonyl)-N,N,4-trimethyl-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.8186473
• LogD (pH = 7.4): 0.8421328
• Log P: 0.84244055
• Molar Refractivity: 85.7477 cm^3
• Polarizability: 31.45631 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.68
• LOG S: -0.65
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2