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

• ChemBase ID: 246929
• Molecular Formular: C8H14N4
• Molecular Mass: 166.22356
• Monoisotopic Mass: 166.12184647
• SMILES: c1(ncc(cn1)CNC)N(C)C
• Canonical SMILES: CNCc1cnc(nc1)N(C)C
• InChI: InChI=1S/C8H14N4/c1-9-4-7-5-10-8(11-6-7)12(2)3/h5-6,9H,4H2,1-3H3
• InChIKey: DSEMCBZVWDDRJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16868850
• PubChem SID: 164302839
• PubChem CID: 62756582

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6547585
• LogD (pH = 7.4): -1.2018064
• Log P: 0.39491418
• Molar Refractivity: 50.3449 cm^3
• Polarizability: 18.564556 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.038

Product Information

• Purity: 95%