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

• ChemBase ID: 114551
• Molecular Formular: C10H17N5
• Molecular Mass: 207.27548
• Monoisotopic Mass: 207.14839557
• SMILES: c1(nc(cc(n1)C)N)N1CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)c1nc(C)cc(n1)N
• InChI: InChI=1S/C10H17N5/c1-8-7-9(11)13-10(12-8)15-5-3-14(2)4-6-15/h7H,3-6H2,1-2H3,(H2,11,12,13)
• InChIKey: DJOBNETYAZXHOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16690456
• PubChem SID: 162099626
• PubChem CID: 56828604

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.534298
• LogD (pH = 7.4): 0.17850368
• Log P: 0.5805867
• Molar Refractivity: 62.7524 cm^3
• Polarizability: 22.584272 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.634

Product Information

• Purity: 95+%