2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

C15H14F3N3O2S — CID 1037977

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O2S/c1-9-7-10(2)20-14(19-9)24-8-13(22)21-11-3-5-12(6-4-11)23-15(16,17)18/h3-7H,8H2,1-2H3,(H,21,22)
InChIKeyWVCSJOPBBIDNAO-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.72
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 1037977) has the molecular formula C15H14F3N3O2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID1037977
Molecular FormulaC15H14F3N3O2S
Molecular Weight357.36 g/mol
Exact Mass357.08
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O2S/c1-9-7-10(2)20-14(19-9)24-8-13(22)21-11-3-5-12(6-4-11)23-15(16,17)18/h3-7H,8H2,1-2H3,(H,21,22)
InChIKeyWVCSJOPBBIDNAO-UHFFFAOYSA-N
XLogP3.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 1867183
4-((4,6-Dimethylpyrimidin-2-yl)oxy)aniline
CID 767037
3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2918713
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide
CID 134433608
4-(4-Methoxyphenylamino)-6-methylpyrimidin-2-amine
CID 241827
2-[4-(4-Methoxy-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-acetamide
CID 653466
2-((4,6-Dimethylpyrimidin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide
CID 769987
2-(4,6-dimethylpyrimidin-2-ylthio)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 815338
2-((4,6-Diaminopyrimidin-2-yl)thio)-N-(2-methoxyphenyl)acetamide
CID 846576
6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1090230
1-(4-Butoxyphenyl)-3-[2-(butylsulfanyl)-6-methylpyrimidin-4-yl]thiourea
CID 1870872
2-[(4-Methyl-6-phenoxy-2-pyrimidinyl)thio]acetamide
CID 2201505

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 1037977) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1cc(C)nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is WVCSJOPBBIDNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2S/c1-9-7-10(2)20-14(19-9)24-8-13(22)21-11-3-5-12(6-4-11)23-15(16,17)18/h3-7H,8H2,1-2H3,(H,21,22).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 357.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 1037977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).