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

• ChemBase ID: 308957
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: c1(ncc(cn1)CNC)N
• Canonical SMILES: CNCc1cnc(nc1)N
• InChI: InChI=1S/C6H10N4/c1-8-2-5-3-9-6(7)10-4-5/h3-4,8H,2H2,1H3,(H2,7,9,10)
• InChIKey: SAYIDBFKZNLZDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1215295-83-2
• MDL Number: MFCD14702864

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.594084
• LogD (pH = 7.4): -2.1449995
• Log P: -0.54205567
• Molar Refractivity: 40.6167 cm^3
• Polarizability: 14.884685 Å^3
• Polar Surface Area: 63.83 Å^2