N,5-dimethyl-N-(oxolan-3-yl)-4-[(pyridin-2-ylmethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

• ChemBase ID: 467294
• Molecular Formular: C19H21N5O2S
• Molecular Mass: 383.46734
• Monoisotopic Mass: 383.14159594
• SMILES: c1(c(c2c(s1)ncnc2NCc1ncccc1)C)C(=O)N(C1CCOC1)C
• Canonical SMILES: CN(C(=O)c1sc2c(c1C)c(ncn2)NCc1ccccn1)C1COCC1
• InChI: InChI=1S/C19H21N5O2S/c1-12-15-17(21-9-13-5-3-4-7-20-13)22-11-23-18(15)27-16(12)19(25)24(2)14-6-8-26-10-14/h3-5,7,11,14H,6,8-10H2,1-2H3,(H,21,22,23)
• InChIKey: FLDIHRRNVNSXGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5-dimethyl-N-(oxolan-3-yl)-4-[(pyridin-2-ylmethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
• IUPAC Traditional name: N,5-dimethyl-N-(oxolan-3-yl)-4-[(pyridin-2-ylmethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
• Synonyms: N,5-dimethyl-4-[(2-pyridinylmethyl)amino]-N-(tetrahydro-3-furanyl)thieno[2,3-d]pyrimidine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.491615
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.7895813
• LogD (pH = 7.4): 1.7937567
• Log P: 1.7938101
• Molar Refractivity: 105.763 cm^3
• Polarizability: 39.53641 Å^3
• Polar Surface Area: 80.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.17
• LOG S: -3.97
• Polar Surface Area: 80.24 Å^2
• Rotatable Bonds: 5