4-methyl-2-[(4-methylpyrimidin-2-yl)disulfanyl]pyrimidine

• ChemBase ID: 264999
• Molecular Formular: C10H10N4S2
• Molecular Mass: 250.3432
• Monoisotopic Mass: 250.03468834
• SMILES: c1(nc(ccn1)C)SSc1nc(ccn1)C
• Canonical SMILES: Cc1ccnc(n1)SSc1nccc(n1)C
• InChI: InChI=1S/C10H10N4S2/c1-7-3-5-11-9(13-7)15-16-10-12-6-4-8(2)14-10/h3-6H,1-2H3
• InChIKey: LAWNBZBYKJVMRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-[(4-methylpyrimidin-2-yl)disulfanyl]pyrimidine
• IUPAC Traditional name: 4-methyl-2-[(4-methylpyrimidin-2-yl)disulfanyl]pyrimidine
• Synonyms: 4-methyl-2-[(4-methylpyrimidin-2-yl)disulfanyl]pyrimidine

Database IDs

• MDL Number: MFCD14705690
• PubChem SID: 164320909
• PubChem CID: 12367488

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.346932
• LogD (pH = 7.4): 2.3470354
• Log P: 2.3470366
• Molar Refractivity: 64.8638 cm^3
• Polarizability: 26.054699 Å^3
• Polar Surface Area: 51.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.847

Product Information

• Purity: 95%