N-cyclopropyl-5-methyl-4-[4-(morpholin-4-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide

• ChemBase ID: 863845
• Molecular Formular: C20H27N5O2S
• Molecular Mass: 401.52568
• Monoisotopic Mass: 401.18854613
• SMILES: c12c(c(sc1ncnc2N1CCC(N2CCOCC2)CC1)C(=O)NC1CC1)C
• Canonical SMILES: O=C(c1sc2c(c1C)c(ncn2)N1CCC(CC1)N1CCOCC1)NC1CC1
• InChI: InChI=1S/C20H27N5O2S/c1-13-16-18(25-6-4-15(5-7-25)24-8-10-27-11-9-24)21-12-22-20(16)28-17(13)19(26)23-14-2-3-14/h12,14-15H,2-11H2,1H3,(H,23,26)
• InChIKey: CQNSORKUCGPPTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-methyl-4-[4-(morpholin-4-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-methyl-4-[4-(morpholin-4-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide
• Synonyms: N-cyclopropyl-5-methyl-4-[4-(4-morpholinyl)-1-piperidinyl]thieno[2,3-d]pyrimidine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.731678
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.05860086
• LogD (pH = 7.4): 1.602214
• Log P: 1.9897711
• Molar Refractivity: 111.2943 cm^3
• Polarizability: 41.961918 Å^3
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.65
• LOG S: -4.13
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 4