N-methylpyrimidin-4-amine

• ChemBase ID: 236729
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: n1c(ccnc1)NC
• Canonical SMILES: CNc1ccncn1
• InChI: InChI=1S/C5H7N3/c1-6-5-2-3-7-4-8-5/h2-4H,1H3,(H,6,7,8)
• InChIKey: VERCQLOBLOLFMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpyrimidin-4-amine
• IUPAC Traditional name: N-methylpyrimidin-4-amine
• Synonyms: N-methylpyrimidin-4-amine; 4-(METHYLAMINO)PYRIMIDINE

Database IDs

• CAS Number: 22632-10-6
• MDL Number: MFCD10697837
• PubChem SID: 164292639
• PubChem CID: 519971

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.13093588
• LogD (pH = 7.4): 0.11267114
• Log P: 0.11697111
• Molar Refractivity: 33.2296 cm^3
• Polarizability: 11.517219 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 0.499

Product Information

• Purity: 95%; 98%