N,N-dimethyl-4-(piperazin-1-yl)pyrimidin-2-amine hydrochloride

• ChemBase ID: 277750
• Molecular Formular: C10H18ClN5
• Molecular Mass: 243.73642
• Monoisotopic Mass: 243.12507328
• SMILES: n1c(nccc1N1CCNCC1)N(C)C.Cl
• Canonical SMILES: CN(c1nccc(n1)N1CCNCC1)C.Cl
• InChI: InChI=1S/C10H17N5.ClH/c1-14(2)10-12-4-3-9(13-10)15-7-5-11-6-8-15;/h3-4,11H,5-8H2,1-2H3;1H
• InChIKey: WXWPISNDIOWXHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-(piperazin-1-yl)pyrimidin-2-amine hydrochloride
• IUPAC Traditional name: N,N-dimethyl-4-(piperazin-1-yl)pyrimidin-2-amine hydrochloride
• Synonyms: N,N-dimethyl-4-(piperazin-1-yl)pyrimidin-2-amine hydrochloride

Database IDs

• MDL Number: MFCD19982421
• PubChem SID: 164333660
• PubChem CID: 54594736

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.1057024
• LogD (pH = 7.4): -0.5013882
• Log P: 1.0031384
• Molar Refractivity: 62.5944 cm^3
• Polarizability: 22.660547 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 242 - 244°C
• Hydrophobicity(logP): 0.777

Product Information

• Purity: 95%