N-(1-methoxypropan-2-yl)-5-methyl-6-(morpholine-4-carbonyl)thieno[2,3-d]pyrimidin-4-amine

• ChemBase ID: 644719
• Molecular Formular: C16H22N4O3S
• Molecular Mass: 350.43588
• Monoisotopic Mass: 350.14126158
• SMILES: c1(c(c2c(s1)ncnc2NC(COC)C)C)C(=O)N1CCOCC1
• Canonical SMILES: COCC(Nc1ncnc2c1c(C)c(s2)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C16H22N4O3S/c1-10(8-22-3)19-14-12-11(2)13(24-15(12)18-9-17-14)16(21)20-4-6-23-7-5-20/h9-10H,4-8H2,1-3H3,(H,17,18,19)
• InChIKey: SUUDVXXCDJWGJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methoxypropan-2-yl)-5-methyl-6-(morpholine-4-carbonyl)thieno[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-(1-methoxypropan-2-yl)-5-methyl-6-(morpholine-4-carbonyl)thieno[2,3-d]pyrimidin-4-amine
• Synonyms: N-(2-methoxy-1-methylethyl)-5-methyl-6-(4-morpholinylcarbonyl)thieno[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.094213
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.4540151
• LogD (pH = 7.4): 1.4553927
• Log P: 1.4554102
• Molar Refractivity: 94.7562 cm^3
• Polarizability: 35.25698 Å^3
• Polar Surface Area: 76.58 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: 1.3
• LOG S: -3.21
• Polar Surface Area: 76.58 Å^2
• Rotatable Bonds: 4