2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide

C14H12F3N3OS — CID 5061796

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2cc(F)c(F)cc2F)n1
InChIInChI=1S/C14H12F3N3OS/c1-7-3-8(2)19-14(18-7)22-6-13(21)20-12-5-10(16)9(15)4-11(12)17/h3-5H,6H2,1-2H3,(H,20,21)
InChIKeyVZNWHRAVGHSVAB-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.24
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide (PubChem CID 5061796) has the molecular formula C14H12F3N3OS and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide
PubChem CID5061796
Molecular FormulaC14H12F3N3OS
Molecular Weight327.33 g/mol
Exact Mass327.07
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2cc(F)c(F)cc2F)n1
InChIInChI=1S/C14H12F3N3OS/c1-7-3-8(2)19-14(18-7)22-6-13(21)20-12-5-10(16)9(15)4-11(12)17/h3-5H,6H2,1-2H3,(H,20,21)
InChIKeyVZNWHRAVGHSVAB-UHFFFAOYSA-N
XLogP3.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166
N-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4294773
N-(2,5-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2237735
N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 17052733
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440472
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 2879195
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 933898
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 40663127
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 3472528
N-(3,4-dibromophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 3919820
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 56782550

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide (CID 5061796) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2cc(F)c(F)cc2F)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide?
The InChIKey is VZNWHRAVGHSVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3OS/c1-7-3-8(2)19-14(18-7)22-6-13(21)20-12-5-10(16)9(15)4-11(12)17/h3-5H,6H2,1-2H3,(H,20,21).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide has a molecular weight of 327.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 5061796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).