4,6-dimethyl-2-(piperazin-1-yl)pyrimidine

• ChemBase ID: 30758
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: c1(nc(cc(n1)C)C)N1CCNCC1
• Canonical SMILES: Cc1nc(nc(c1)C)N1CCNCC1
• InChI: InChI=1S/C10H16N4/c1-8-7-9(2)13-10(12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
• InChIKey: QLTXFTSBONWMPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-2-(piperazin-1-yl)pyrimidine
• IUPAC Traditional name: 4,6-dimethyl-2-(piperazin-1-yl)pyrimidine
• Synonyms: 4,6-Dimethyl-2-piperazin-1-yl-pyrimidine; 1-(4,6-Dimethylpyrimidin-2-yl)piperazine; 4,6-Dimethyl-2-(piperazin-1-yl)-1,3-diazine; 4,6-Dimethyl-2-(piperazin-1-yl)pyrimidine 98%

Database IDs

• CAS Number: 22746-09-4
• MDL Number: MFCD00885959
• PubChem SID: 160994065
• PubChem CID: 2758651

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3588967
• LogD (pH = 7.4): -0.7536085
• Log P: 0.5633773
• Molar Refractivity: 57.0353 cm^3
• Polarizability: 21.367144 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 115-118°C/1mm

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false