2-methylpyrimidin-5-amine

• ChemBase ID: 67083
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: c1(ncc(cn1)N)C
• Canonical SMILES: Nc1cnc(nc1)C
• InChI: InChI=1S/C5H7N3/c1-4-7-2-5(6)3-8-4/h2-3H,6H2,1H3
• InChIKey: VGPRNGGSKJHOFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyrimidin-5-amine
• IUPAC Traditional name: 2-methylpyrimidin-5-amine
• Synonyms: 2-METHYL-5-PYRIMIDINAMINE; 2-methylpyrimidin-5-amine; 5-Amino-2-methylpyrimidine

Database IDs

• CAS Number: 39889-94-6
• MDL Number: MFCD09608109
• PubChem SID: 162032819
• PubChem CID: 295764

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.22685196
• LogD (pH = 7.4): -0.22600105
• Log P: -0.22599019
• Molar Refractivity: 32.0471 cm^3
• Polarizability: 11.447505 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.175

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%