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

C16H18ClN3O2S — CID 24768447

IUPACN-[6-[(4-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide
SMILESCCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-4-6-13(17)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21)
InChIKeyVMUWYGVIWGRWFR-UHFFFAOYSA-N
MW351.86 g/mol
LogP4.17
Rot. Bonds7

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

N-[6-[(4-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide (PubChem CID 24768447) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide
PubChem CID24768447
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC NameN-[6-[(4-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide
SMILESCCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-4-6-13(17)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21)
InChIKeyVMUWYGVIWGRWFR-UHFFFAOYSA-N
XLogP4.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide (CID 24768447) is N-[6-[(4-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide is CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[6-[(4-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide?
The InChIKey is VMUWYGVIWGRWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-4-6-13(17)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-[6-[(4-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide?
N-[6-[(4-chlorophenyl)methoxy]-2-propylsulfanylpyrimidin-4-yl]acetamide has a molecular weight of 351.86 g/mol, XLogP of 4.17, 7 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-propylsulfanylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 24768447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).