4-(4-chloro-6-ethylpyrimidin-2-yl)morpholine

• ChemBase ID: 143957
• Molecular Formular: C10H14ClN3O
• Molecular Mass: 227.69066
• Monoisotopic Mass: 227.08253976
• SMILES: CCc1cc(nc(n1)N1CCOCC1)Cl
• Canonical SMILES: CCc1cc(Cl)nc(n1)N1CCOCC1
• InChI: InChI=1S/C10H14ClN3O/c1-2-8-7-9(11)13-10(12-8)14-3-5-15-6-4-14/h7H,2-6H2,1H3
• InChIKey: QBLWJUZCFCIFMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chloro-6-ethylpyrimidin-2-yl)morpholine
• IUPAC Traditional name: 4-(4-chloro-6-ethylpyrimidin-2-yl)morpholine
• Synonyms: 4-(4-Chloro-6-ethylpyrimidin-2-yl)morpholine; 4-(4-chloro-6-ethylpyrimidin-2-yl)morpholine

Database IDs

• CAS Number: 901586-60-5
• MDL Number: MFCD08060016
• PubChem SID: 162238174
• PubChem CID: 17750885

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2693527
• LogD (pH = 7.4): 2.2741315
• Log P: 2.2741928
• Molar Refractivity: 61.2559 cm^3
• Polarizability: 22.594234 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H14ClN3O

DETAILS

Sigma Aldrich - CBR00388

Other Notes
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Legal Information
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