3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide

C16H19N3O2S — CID 975884

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSc1nc(C)cc(C)n1
InChIInChI=1S/C16H19N3O2S/c1-11-10-12(2)18-16(17-11)22-9-8-15(20)19-13-6-4-5-7-14(13)21-3/h4-7,10H,8-9H2,1-3H3,(H,19,20)
InChIKeyXKBWZKQVTOAQRD-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.22
Rot. Bonds6

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide (PubChem CID 975884) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide
PubChem CID975884
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSc1nc(C)cc(C)n1
InChIInChI=1S/C16H19N3O2S/c1-11-10-12(2)18-16(17-11)22-9-8-15(20)19-13-6-4-5-7-14(13)21-3/h4-7,10H,8-9H2,1-3H3,(H,19,20)
InChIKeyXKBWZKQVTOAQRD-UHFFFAOYSA-N
XLogP3.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.22
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
N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 853509
3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2918713
1-(2-Ethoxyphenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2927186
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 3148623
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 3952446
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide
CID 134433608
N-(2-Methoxy-phenyl)-6-(4-methyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 649324
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
N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide (CID 975884) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCSc1nc(C)cc(C)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide?
The InChIKey is XKBWZKQVTOAQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-10-12(2)18-16(17-11)22-9-8-15(20)19-13-6-4-5-7-14(13)21-3/h4-7,10H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide has a molecular weight of 317.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 975884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).