methyl(pyrimidin-2-ylmethyl)amine

• ChemBase ID: 67612
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: c1(ncccn1)CNC
• Canonical SMILES: CNCc1ncccn1
• InChI: InChI=1S/C6H9N3/c1-7-5-6-8-3-2-4-9-6/h2-4,7H,5H2,1H3
• InChIKey: UYNVZHWHWPHYHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(pyrimidin-2-ylmethyl)amine
• IUPAC Traditional name: methyl(pyrimidin-2-ylmethyl)amine
• Synonyms: N-Methyl-2-pyrimidinemethanamine

Database IDs

• CAS Number: 1083246-53-0
• MDL Number: MFCD11617315
• PubChem SID: 162033347
• PubChem CID: 20607228

CALCULATED PROPERTIES

• Polarizability: 13.743561 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7862774
• LogD (pH = 7.4): -0.22986464
• Log P: 0.037130486
• Molar Refractivity: 35.481 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%