N-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

• ChemBase ID: 795056
• Molecular Formular: C17H19N5S
• Molecular Mass: 325.43126
• Monoisotopic Mass: 325.13611663
• SMILES: c12nc(sc1CCCC2Nc1c2c(nc(cc2C)C)ncn1)C
• Canonical SMILES: Cc1nc2c(s1)CCCC2Nc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C17H19N5S/c1-9-7-10(2)20-16-14(9)17(19-8-18-16)22-12-5-4-6-13-15(12)21-11(3)23-13/h7-8,12H,4-6H2,1-3H3,(H,18,19,20,22)
• InChIKey: QPZPUELYCZGNPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
• IUPAC Traditional name: N-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
• Synonyms: 5,7-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.669626
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.0932786
• LogD (pH = 7.4): 3.1054888
• Log P: 3.105646
• Molar Refractivity: 94.2909 cm^3
• Polarizability: 34.832863 Å^3
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.68
• LOG S: -3.86
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 2