N,N,2-trimethyl-7-[5-(oxolan-2-yl)thiophene-2-carbonyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 558057
• Molecular Formular: C19H24N4O2S
• Molecular Mass: 372.48446
• Monoisotopic Mass: 372.16199703
• SMILES: c12c(nc(nc1CN(C(=O)c1sc(cc1)C1OCCC1)CC2)C)N(C)C
• Canonical SMILES: Cc1nc2CN(CCc2c(n1)N(C)C)C(=O)c1ccc(s1)C1CCCO1
• InChI: InChI=1S/C19H24N4O2S/c1-12-20-14-11-23(9-8-13(14)18(21-12)22(2)3)19(24)17-7-6-16(26-17)15-5-4-10-25-15/h6-7,15H,4-5,8-11H2,1-3H3
• InChIKey: DMINRSGPTNMRLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,2-trimethyl-7-[5-(oxolan-2-yl)thiophene-2-carbonyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N,N,2-trimethyl-7-[5-(oxolan-2-yl)thiophene-2-carbonyl]-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N,N,2-trimethyl-7-{[5-(tetrahydrofuran-2-yl)-2-thienyl]carbonyl}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.6875806
• LogD (pH = 7.4): 2.8786354
• Log P: 2.8817127
• Molar Refractivity: 103.8129 cm^3
• Polarizability: 38.37436 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.25
• LOG S: -2.98
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3