2-methyl-6-(propan-2-yl)pyrimidin-4-amine

• ChemBase ID: 37133
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1c(cc(nc1C)C(C)C)N
• Canonical SMILES: Nc1cc(nc(n1)C)C(C)C
• InChI: InChI=1S/C8H13N3/c1-5(2)7-4-8(9)11-6(3)10-7/h4-5H,1-3H3,(H2,9,10,11)
• InChIKey: FNCJZLLRTUWMMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(propan-2-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-isopropyl-2-methylpyrimidin-4-amine
• Synonyms: 6-Isopropyl-2-methylpyrimidin-4-amine

Database IDs

• CAS Number: 95206-97-6
• MDL Number: MFCD09909804
• PubChem SID: 161000440
• PubChem CID: 13398198

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.40312222
• LogD (pH = 7.4): 1.6661508
• Log P: 1.7867442
• Molar Refractivity: 46.1535 cm^3
• Polarizability: 16.882362 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

Product Information

• Purity: 98%