N-methylpyrimidin-2-amine

• ChemBase ID: 259399
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: c1(ncccn1)NC
• Canonical SMILES: CNc1ncccn1
• InChI: InChI=1S/C5H7N3/c1-6-5-7-3-2-4-8-5/h2-4H,1H3,(H,6,7,8)
• InChIKey: BQNXHDSGGRTFNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpyrimidin-2-amine
• IUPAC Traditional name: N-methylpyrimidin-2-amine
• Synonyms: N-methylpyrimidin-2-amine; 2-METHYLAMINOPYRIMIDINE

Database IDs

• CAS Number: 931-61-3
• MDL Number: MFCD00234126
• PubChem SID: 164315309
• PubChem CID: 265776

CALCULATED PROPERTIES

• Acid pKa: 16.610598
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.19748819
• LogD (pH = 7.4): 0.2012514
• Log P: 0.20129961
• Molar Refractivity: 32.8621 cm^3
• Polarizability: 11.5213995 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60 - 62°C
• Hydrophobicity(logP): 0.499

Product Information

• Purity: 95%; 98%