2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide

C17H21N3O4S — CID 1263727

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nc(C)cc(C)n2)cc(OC)c1OC
InChIInChI=1S/C17H21N3O4S/c1-10-6-11(2)19-17(18-10)25-9-15(21)20-12-7-13(22-3)16(24-5)14(8-12)23-4/h6-8H,9H2,1-5H3,(H,20,21)
InChIKeyBRVRFKLTWPDYHQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.85
Rot. Bonds7

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 1263727) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID1263727
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nc(C)cc(C)n2)cc(OC)c1OC
InChIInChI=1S/C17H21N3O4S/c1-10-6-11(2)19-17(18-10)25-9-15(21)20-12-7-13(22-3)16(24-5)14(8-12)23-4/h6-8H,9H2,1-5H3,(H,20,21)
InChIKeyBRVRFKLTWPDYHQ-UHFFFAOYSA-N
XLogP2.85
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-Benzo[1,3]dioxol-5-yl-2-(4,6-diamino-pyrimidin-2-ylsulfanyl)-acetamide
CID 2627302
2-((4,6-Dimethylpyrimidin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide
CID 769987
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 3395682
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9418795
N-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
CID 2238231
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 751748
2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 1152338
N-(3,4-dimethoxyphenyl)-3-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
CID 1166601
N-(3,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2085877
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 2544913
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2927686
N-(6-methyl-2-pyridinyl)-N'-(3,4,5-trimethoxyphenyl)thiourea
CID 2989959

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide (CID 1263727) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CSc2nc(C)cc(C)n2)cc(OC)c1OC.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is BRVRFKLTWPDYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-10-6-11(2)19-17(18-10)25-9-15(21)20-12-7-13(22-3)16(24-5)14(8-12)23-4/h6-8H,9H2,1-5H3,(H,20,21).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 1263727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).