5-[4-(dimethylamino)-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]-N-ethyl-4-methyl-1,3-thiazol-2-amine

• ChemBase ID: 585370
• Molecular Formular: C17H24N6OS
• Molecular Mass: 360.47706
• Monoisotopic Mass: 360.17323042
• SMILES: c1(C(=O)N2Cc3c(c(nc(n3)C)N(C)C)CC2)c(nc(s1)NCC)C
• Canonical SMILES: CCNc1nc(c(s1)C(=O)N1CCc2c(C1)nc(nc2N(C)C)C)C
• InChI: InChI=1S/C17H24N6OS/c1-6-18-17-19-10(2)14(25-17)16(24)23-8-7-12-13(9-23)20-11(3)21-15(12)22(4)5/h6-9H2,1-5H3,(H,18,19)
• InChIKey: QUHCZKJIRVMNFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(dimethylamino)-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-[4-(dimethylamino)-2-methyl-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
• Synonyms: 7-{[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]carbonyl}-N,N,2-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.336727
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.9072853
• LogD (pH = 7.4): 2.0988188
• Log P: 2.1019022
• Molar Refractivity: 102.3603 cm^3
• Polarizability: 36.75864 Å^3
• Polar Surface Area: 74.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.32
• LOG S: -3.41
• Polar Surface Area: 74.25 Å^2
• Rotatable Bonds: 4