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

• ChemBase ID: 534655
• Molecular Formular: C13H13N5S
• Molecular Mass: 271.34082
• Monoisotopic Mass: 271.08916644
• SMILES: c1(c2c(nc(n1)C)ccs2)NCc1ncc(nc1)C
• Canonical SMILES: Cc1ncc(nc1)CNc1nc(C)nc2c1scc2
• InChI: InChI=1S/C13H13N5S/c1-8-5-15-10(6-14-8)7-16-13-12-11(3-4-19-12)17-9(2)18-13/h3-6H,7H2,1-2H3,(H,16,17,18)
• InChIKey: HKAYGQPBEJNDCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.730018
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.518778
• LogD (pH = 7.4): 1.6011112
• Log P: 1.6022694
• Molar Refractivity: 75.1902 cm^3
• Polarizability: 29.015875 Å^3
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.25
• LOG S: -2.91
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 3