N-methyl-5-[(methylamino)methyl]pyrimidin-2-amine

• ChemBase ID: 309042
• Molecular Formular: C7H12N4
• Molecular Mass: 152.19698
• Monoisotopic Mass: 152.1061964
• SMILES: c1(ncc(cn1)CNC)NC
• Canonical SMILES: CNCc1cnc(nc1)NC
• InChI: InChI=1S/C7H12N4/c1-8-3-6-4-10-7(9-2)11-5-6/h4-5,8H,3H2,1-2H3,(H,9,10,11)
• InChIKey: KNPNIGWUZQOHES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-[(methylamino)methyl]pyrimidin-2-amine
• IUPAC Traditional name: N-methyl-5-[(methylamino)methyl]pyrimidin-2-amine
• Synonyms: N-methyl-5-[(methylamino)methyl]-2-pyrimidinamine

Database IDs

• CAS Number: 1227465-81-7
• MDL Number: MFCD14702868

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.2912014
• LogD (pH = 7.4): -1.8401815
• Log P: -0.24035156
• Molar Refractivity: 46.1101 cm^3
• Polarizability: 16.723965 Å^3
• Polar Surface Area: 49.84 Å^2