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

C15H17N3O2S — CID 2927686

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C15H17N3O2S/c1-10-8-11(2)17-15(16-10)21-9-14(19)18-12-4-6-13(20-3)7-5-12/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyMDVFNTWDQUDRNJ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.83
Rot. Bonds5

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 2927686) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID2927686
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C15H17N3O2S/c1-10-8-11(2)17-15(16-10)21-9-14(19)18-12-4-6-13(20-3)7-5-12/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyMDVFNTWDQUDRNJ-UHFFFAOYSA-N
XLogP2.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.83
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
N-[4-(2-pyrimidinyloxy)phenyl]acetamide
CID 1487531
3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2918713
N-(4-{[6-(2-formylhydrazino)-2-(methylsulfanyl)-4-pyrimidinyl]oxy}phenyl)acetamide
CID 1818784
1-(4-Methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 790705
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 3148623
N-(4-Methoxy-phenyl)-6-(4-methyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 1090234
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 3952446
(4-Methoxyphenyl){2-[(4-methoxyphenyl)amino]-6-methylpyrimidin-4-yl}amine
CID 910857
N-(4,6-Dimethyl-pyrimidin-2-yl)-N'-[4-(3-methyl-butoxy)-phenyl]-guanidine
CID 9595080
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide
CID 134433608

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (CID 2927686) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is MDVFNTWDQUDRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-8-11(2)17-15(16-10)21-9-14(19)18-12-4-6-13(20-3)7-5-12/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.83, 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-methoxyphenyl)acetamide is sourced from PubChem (CID 2927686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).