7-(4-ethyl-1,2,3-thiadiazole-5-carbonyl)-N2,N2,N4,N4-tetramethyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine

• ChemBase ID: 549248
• Molecular Formular: C16H23N7OS
• Molecular Mass: 361.46512
• Monoisotopic Mass: 361.16847939
• SMILES: n1c(c2c(nc1N(C)C)CN(C(=O)c1c(nns1)CC)CC2)N(C)C
• Canonical SMILES: CCc1nnsc1C(=O)N1CCc2c(C1)nc(nc2N(C)C)N(C)C
• InChI: InChI=1S/C16H23N7OS/c1-6-11-13(25-20-19-11)15(24)23-8-7-10-12(9-23)17-16(22(4)5)18-14(10)21(2)3/h6-9H2,1-5H3
• InChIKey: NWPROWQCRGSKBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(4-ethyl-1,2,3-thiadiazole-5-carbonyl)-N2,N2,N4,N4-tetramethyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• IUPAC Traditional name: 7-(4-ethyl-1,2,3-thiadiazole-5-carbonyl)-N2,N2,N4,N4-tetramethyl-5H,6H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• Synonyms: 7-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-N,N,N',N'-tetramethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.6893109
• LogD (pH = 7.4): 2.222008
• Log P: 2.2359757
• Molar Refractivity: 101.4113 cm^3
• Polarizability: 36.02952 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.65
• LOG S: -3.25
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 4