4-methoxy-6-methyl-2-(piperazin-1-yl)pyrimidine

• ChemBase ID: 271372
• Molecular Formular: C10H16N4O
• Molecular Mass: 208.26024
• Monoisotopic Mass: 208.13241115
• SMILES: c1(nc(cc(n1)C)OC)N1CCNCC1
• Canonical SMILES: COc1cc(C)nc(n1)N1CCNCC1
• InChI: InChI=1S/C10H16N4O/c1-8-7-9(15-2)13-10(12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
• InChIKey: HSRDDMIJAYBYQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-6-methyl-2-(piperazin-1-yl)pyrimidine
• IUPAC Traditional name: 4-methoxy-6-methyl-2-(piperazin-1-yl)pyrimidine
• Synonyms: 4-methoxy-6-methyl-2-(piperazin-1-yl)pyrimidine

Database IDs

• MDL Number: MFCD14707799
• PubChem SID: 164327282
• PubChem CID: 23368043

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.0476604
• LogD (pH = 7.4): -0.43315113
• Log P: 0.8687934
• Molar Refractivity: 59.2205 cm^3
• Polarizability: 22.13511 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.316

Product Information

• Purity: 95%