N,2-dimethyl-N-[3-(oxolan-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine

• ChemBase ID: 848432
• Molecular Formular: C15H21N3OS
• Molecular Mass: 291.41174
• Monoisotopic Mass: 291.14053331
• SMILES: c1(c2c(nc(n1)C)ccs2)N(CCCC1OCCC1)C
• Canonical SMILES: Cc1nc(N(CCCC2CCCO2)C)c2c(n1)ccs2
• InChI: InChI=1S/C15H21N3OS/c1-11-16-13-7-10-20-14(13)15(17-11)18(2)8-3-5-12-6-4-9-19-12/h7,10,12H,3-6,8-9H2,1-2H3
• InChIKey: MZHPVOSFXAIIHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-[3-(oxolan-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine
• IUPAC Traditional name: N,2-dimethyl-N-[3-(oxolan-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine
• Synonyms: N,2-dimethyl-N-[3-(tetrahydrofuran-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4186687
• LogD (pH = 7.4): 3.494179
• Log P: 3.495233
• Molar Refractivity: 82.8216 cm^3
• Polarizability: 32.305317 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.99
• LOG S: -4.89
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 5