N-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide

C15H16ClN3O2S — CID 24768452

IUPACN-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide
SMILESCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3O2S/c1-3-22-15-18-13(17-10(2)20)8-14(19-15)21-9-11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3,(H,17,18,19,20)
InChIKeyQTQBWKGZTBCDEM-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.78
Rot. Bonds6

About N-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide

N-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide (PubChem CID 24768452) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide
PubChem CID24768452
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC NameN-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide
SMILESCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3O2S/c1-3-22-15-18-13(17-10(2)20)8-14(19-15)21-9-11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3,(H,17,18,19,20)
InChIKeyQTQBWKGZTBCDEM-UHFFFAOYSA-N
XLogP3.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzylsulfanyl)-6-propoxypyrimidin-4-yl]acetamide
CID 24768443
N-[6-(benzyloxy)-2-(propylsulfanyl)pyrimidin-4-yl]acetamide
CID 24768444
N-{6-[(2-chlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide
CID 24768445
N-{6-[(3-chlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide
CID 24768446
N-{6-[(4-chlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide
CID 24768447
N-{6-[(2,4-dichlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide
CID 24768448
N-{6-[(4-methoxyphenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide
CID 24768449
N-[6-(2-phenylethoxy)-2-(propylsulfanyl)pyrimidin-4-yl]acetamide
CID 24768450
N-[6-(1-phenylethoxy)-2-propylsulfanylpyrimidin-4-yl]acetamide
CID 139248507
N-[6-[(1S)-1-phenylethoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide
CID 139248513
N-[2-(tert-butylsulfanyl)-6-[(4-chlorophenyl)methoxy]pyrimidin-4-yl]acetamide
CID 24768453
N-[2-butylsulfanyl-6-[(4-chlorophenyl)methoxy]pyrimidin-4-yl]acetamide
CID 24824328

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide (CID 24768452) is N-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide is CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide?
The InChIKey is QTQBWKGZTBCDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-3-22-15-18-13(17-10(2)20)8-14(19-15)21-9-11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3,(H,17,18,19,20).
What are the key properties of N-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide?
N-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide has a molecular weight of 337.83 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-chlorophenyl)methoxy]-2-ethylsulfanylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 24768452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).