6-methyl-2-phenylpyrimidin-4-amine

• ChemBase ID: 37134
• Molecular Formular: C11H11N3
• Molecular Mass: 185.22514
• Monoisotopic Mass: 185.09529737
• SMILES: n1c(nc(cc1N)C)c1ccccc1
• Canonical SMILES: Cc1cc(N)nc(n1)c1ccccc1
• InChI: InChI=1S/C11H11N3/c1-8-7-10(12)14-11(13-8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14)
• InChIKey: VANNKJQSYXNHAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-phenylpyrimidin-4-amine
• IUPAC Traditional name: 6-methyl-2-phenylpyrimidin-4-amine
• Synonyms: 6-Methyl-2-phenylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD00296925
• PubChem SID: 161000441
• PubChem CID: 12798511

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4908391
• LogD (pH = 7.4): 2.4016042
• Log P: 2.4444523
• Molar Refractivity: 67.7388 cm^3
• Polarizability: 21.735056 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false