4-[7-(dimethyl-1,3-thiazole-5-carbonyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl]morpholine

• ChemBase ID: 675728
• Molecular Formular: C17H21N5O2S
• Molecular Mass: 359.44594
• Monoisotopic Mass: 359.14159594
• SMILES: c1(C(=O)N2Cc3c(c(N4CCOCC4)ncn3)CC2)c(nc(s1)C)C
• Canonical SMILES: Cc1nc(c(s1)C(=O)N1CCc2c(C1)ncnc2N1CCOCC1)C
• InChI: InChI=1S/C17H21N5O2S/c1-11-15(25-12(2)20-11)17(23)22-4-3-13-14(9-22)18-10-19-16(13)21-5-7-24-8-6-21/h10H,3-9H2,1-2H3
• InChIKey: DRVKUHIBQVGWFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[7-(dimethyl-1,3-thiazole-5-carbonyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
• IUPAC Traditional name: 4-[7-(dimethyl-1,3-thiazole-5-carbonyl)-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
• Synonyms: 7-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.70632076
• LogD (pH = 7.4): 0.7230124
• Log P: 0.7232294
• Molar Refractivity: 96.8354 cm^3
• Polarizability: 35.61796 Å^3
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.91
• LOG S: -2.6
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 2