4-(azocan-1-yl)-N,5-dimethyl-N-(propan-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

• ChemBase ID: 432072
• Molecular Formular: C19H28N4OS
• Molecular Mass: 360.51682
• Monoisotopic Mass: 360.19838254
• SMILES: c1(c(c2c(s1)ncnc2N1CCCCCCC1)C)C(=O)N(C(C)C)C
• Canonical SMILES: CC(N(C(=O)c1sc2c(c1C)c(ncn2)N1CCCCCCC1)C)C
• InChI: InChI=1S/C19H28N4OS/c1-13(2)22(4)19(24)16-14(3)15-17(20-12-21-18(15)25-16)23-10-8-6-5-7-9-11-23/h12-13H,5-11H2,1-4H3
• InChIKey: FUJITPMBQZXHIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(azocan-1-yl)-N,5-dimethyl-N-(propan-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
• IUPAC Traditional name: 4-(azocan-1-yl)-N-isopropyl-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
• Synonyms: 4-(1-azocanyl)-N-isopropyl-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.45129
• LogD (pH = 7.4): 4.4524484
• Log P: 4.452463
• Molar Refractivity: 104.9656 cm^3
• Polarizability: 39.33191 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.18
• LOG S: -4.96
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2