2-methylpyrimidin-4-amine

• ChemBase ID: 70679
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: c1(nc(ccn1)N)C
• Canonical SMILES: Nc1ccnc(n1)C
• InChI: InChI=1S/C5H7N3/c1-4-7-3-2-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
• InChIKey: GKVDLTTVBNOGNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyrimidin-4-amine
• IUPAC Traditional name: 2-methylpyrimidin-4-amine
• Synonyms: 2-Methyl-4-pyrimidinamine; 2-methylpyrimidin-4-amine

Database IDs

• CAS Number: 74-69-1
• MDL Number: MFCD00626295
• PubChem SID: 162036392
• PubChem CID: 295763

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6354706
• LogD (pH = 7.4): 0.34350538
• Log P: 0.4003849
• Molar Refractivity: 32.3606 cm^3
• Polarizability: 11.442663 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.43

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%