N2,N2,N4,N4-tetramethyl-7-[2-(methylamino)pyrimidine-5-carbonyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine

• ChemBase ID: 477293
• Molecular Formular: C17H24N8O
• Molecular Mass: 356.42546
• Monoisotopic Mass: 356.20730743
• SMILES: n1c(c2c(nc1N(C)C)CN(C(=O)c1cnc(nc1)NC)CC2)N(C)C
• Canonical SMILES: CNc1ncc(cn1)C(=O)N1CCc2c(C1)nc(nc2N(C)C)N(C)C
• InChI: InChI=1S/C17H24N8O/c1-18-16-19-8-11(9-20-16)15(26)25-7-6-12-13(10-25)21-17(24(4)5)22-14(12)23(2)3/h8-9H,6-7,10H2,1-5H3,(H,18,19,20)
• InChIKey: SLZJEHXFEVABST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2,N4,N4-tetramethyl-7-[2-(methylamino)pyrimidine-5-carbonyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2,N4,N4-tetramethyl-7-[2-(methylamino)pyrimidine-5-carbonyl]-5H,6H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• Synonyms: N,N,N',N'-tetramethyl-7-{[2-(methylamino)-5-pyrimidinyl]carbonyl}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.8131485
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): 0.36417997
• LogD (pH = 7.4): 0.89697707
• Log P: 0.9109464
• Molar Refractivity: 104.9149 cm^3
• Polarizability: 36.63643 Å^3
• Polar Surface Area: 90.38 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: 0.09
• LOG S: -3.19
• Polar Surface Area: 90.38 Å^2
• Rotatable Bonds: 4