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

• ChemBase ID: 556591
• Molecular Formular: C18H26N6OS
• Molecular Mass: 374.50364
• Monoisotopic Mass: 374.18888048
• SMILES: n1c(c2c(nc1N(C)C)CN(C(=O)c1nc(sc1)CCC)CC2)N(C)C
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCc2c(C1)nc(nc2N(C)C)N(C)C
• InChI: InChI=1S/C18H26N6OS/c1-6-7-15-19-14(11-26-15)17(25)24-9-8-12-13(10-24)20-18(23(4)5)21-16(12)22(2)3/h11H,6-10H2,1-5H3
• InChIKey: NCVHFQDDVFVSOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.4490461
• LogD (pH = 7.4): 2.9817376
• Log P: 2.9957051
• Molar Refractivity: 106.6158 cm^3
• Polarizability: 38.67054 Å^3
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.03
• LOG S: -3.66
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 5