2,6-dimethyl-4-[6-(piperazin-1-yl)pyrimidin-4-yl]morpholine

• ChemBase ID: 114448
• Molecular Formular: C14H23N5O
• Molecular Mass: 277.36532
• Monoisotopic Mass: 277.19026038
• SMILES: N1(c2cc(N3CCNCC3)ncn2)CC(OC(C1)C)C
• Canonical SMILES: CC1OC(C)CN(C1)c1ncnc(c1)N1CCNCC1
• InChI: InChI=1S/C14H23N5O/c1-11-8-19(9-12(2)20-11)14-7-13(16-10-17-14)18-5-3-15-4-6-18/h7,10-12,15H,3-6,8-9H2,1-2H3
• InChIKey: ZQOCAEVYYFOPHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-[6-(piperazin-1-yl)pyrimidin-4-yl]morpholine
• IUPAC Traditional name: 2,6-dimethyl-4-[6-(piperazin-1-yl)pyrimidin-4-yl]morpholine
• Synonyms: 2,6-dimethyl-4-(6-piperazin-1-ylpyrimidin-4-yl)morpholine

Database IDs

• MDL Number: MFCD16652785
• PubChem SID: 162101234
• PubChem CID: 45496280

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.4148138
• LogD (pH = 7.4): 0.104165375
• Log P: 1.5334594
• Molar Refractivity: 80.874 cm^3
• Polarizability: 29.992256 Å^3
• Polar Surface Area: 53.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.046

Product Information

• Purity: 95+%