N,5,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

• ChemBase ID: 701601
• Molecular Formular: C14H19N3OS
• Molecular Mass: 277.38516
• Monoisotopic Mass: 277.12488324
• SMILES: c12c(sc(c2C)C)ncnc1N(CC1(COC1)C)C
• Canonical SMILES: CN(c1ncnc2c1c(C)c(s2)C)CC1(C)COC1
• InChI: InChI=1S/C14H19N3OS/c1-9-10(2)19-13-11(9)12(15-8-16-13)17(4)5-14(3)6-18-7-14/h8H,5-7H2,1-4H3
• InChIKey: KJKQVJNOBCVEFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N,5,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
• Synonyms: N,5,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.370042
• LogD (pH = 7.4): 3.3773768
• Log P: 3.3774712
• Molar Refractivity: 79.0362 cm^3
• Polarizability: 29.724617 Å^3
• Polar Surface Area: 38.25 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: 2.4
• LOG S: -3.28
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 3