N,N-dimethyl-4-[(methylamino)methyl]pyrimidin-2-amine

• ChemBase ID: 246435
• Molecular Formular: C8H14N4
• Molecular Mass: 166.22356
• Monoisotopic Mass: 166.12184647
• SMILES: c1(nc(ccn1)CNC)N(C)C
• Canonical SMILES: CNCc1ccnc(n1)N(C)C
• InChI: InChI=1S/C8H14N4/c1-9-6-7-4-5-10-8(11-7)12(2)3/h4-5,9H,6H2,1-3H3
• InChIKey: VCBYBXAUBOKBSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-[(methylamino)methyl]pyrimidin-2-amine
• IUPAC Traditional name: N,N-dimethyl-4-[(methylamino)methyl]pyrimidin-2-amine
• Synonyms: N,N-dimethyl-4-[(methylamino)methyl]pyrimidin-2-amine

Database IDs

• MDL Number: MFCD16866424
• PubChem SID: 164302345
• PubChem CID: 62749331

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1322927
• LogD (pH = 7.4): -0.4054235
• Log P: 0.47638607
• Molar Refractivity: 49.8227 cm^3
• Polarizability: 18.565054 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%