4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine

C16H18ClN3OS — CID 852318

IUPAC4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine
SMILESCCSc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H18ClN3OS/c1-2-22-15-11-14(20-7-9-21-10-8-20)18-16(19-15)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3
InChIKeyDEIOIHCTCNZRJW-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.75
Rot. Bonds4

About 4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine

4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine (PubChem CID 852318) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine
PubChem CID852318
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine
SMILESCCSc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H18ClN3OS/c1-2-22-15-11-14(20-7-9-21-10-8-20)18-16(19-15)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3
InChIKeyDEIOIHCTCNZRJW-UHFFFAOYSA-N
XLogP3.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine (CID 852318) is 4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine is CCSc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine?
The InChIKey is DEIOIHCTCNZRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c1-2-22-15-11-14(20-7-9-21-10-8-20)18-16(19-15)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine?
4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine has a molecular weight of 335.86 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-6-ethylsulfanylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 852318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).