4-methyl-6-(piperazin-1-yl)pyrimidin-2-amine

• ChemBase ID: 309048
• Molecular Formular: C9H15N5
• Molecular Mass: 193.2489
• Monoisotopic Mass: 193.13274551
• SMILES: n1c(N2CCNCC2)cc(nc1N)C
• Canonical SMILES: Cc1cc(nc(n1)N)N1CCNCC1
• InChI: InChI=1S/C9H15N5/c1-7-6-8(13-9(10)12-7)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H2,10,12,13)
• InChIKey: JVBXKKVXYCSITR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-6-(piperazin-1-yl)pyrimidin-2-amine
• IUPAC Traditional name: 4-methyl-6-(piperazin-1-yl)pyrimidin-2-amine
• Synonyms: 4-methyl-6-(1-piperazinyl)-2-pyrimidinamine

Database IDs

• CAS Number: 32705-71-8
• MDL Number: MFCD08753415

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.571294
• LogD (pH = 7.4): -1.8462324
• Log P: 0.19753872
• Molar Refractivity: 57.4577 cm^3
• Polarizability: 20.745575 Å^3
• Polar Surface Area: 67.07 Å^2