2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide

C12H18ClN3OS — CID 114233979

IUPAC2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide
SMILESCCCc1nc(Cl)c(C)c(SCC(=O)NCC)n1
InChIInChI=1S/C12H18ClN3OS/c1-4-6-9-15-11(13)8(3)12(16-9)18-7-10(17)14-5-2/h4-7H2,1-3H3,(H,14,17)
InChIKeyBQBSFNYSXUEETH-UHFFFAOYSA-N
MW287.82 g/mol
LogP2.62
Rot. Bonds6

About 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide

2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide (PubChem CID 114233979) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide
PubChem CID114233979
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide
SMILESCCCc1nc(Cl)c(C)c(SCC(=O)NCC)n1
InChIInChI=1S/C12H18ClN3OS/c1-4-6-9-15-11(13)8(3)12(16-9)18-7-10(17)14-5-2/h4-7H2,1-3H3,(H,14,17)
InChIKeyBQBSFNYSXUEETH-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide
CID 114233972
2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide
CID 114233982
N-ethyl-6-ethylsulfanyl-2,5-dimethylpyrimidin-4-amine
CID 68165170
2-[6-Chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-ylthio]acetamide
CID 86617304
3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-propylpropanamide
CID 91520760
3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-N-(3-aminopropyl)-N-methylpropanamide
CID 141218777
2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
CID 65668122
2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
CID 80354654
6-butylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80883890
N-ethyl-6-(2-methoxyethylsulfanyl)-2,5-dimethylpyrimidin-4-amine
CID 80884114
6-(2-methoxyethylsulfanyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80884296
6-butylsulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80884886

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide?
The IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide (CID 114233979) is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide is CCCc1nc(Cl)c(C)c(SCC(=O)NCC)n1.
What is the InChIKey of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide?
The InChIKey is BQBSFNYSXUEETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-4-6-9-15-11(13)8(3)12(16-9)18-7-10(17)14-5-2/h4-7H2,1-3H3,(H,14,17).
What are the key properties of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide?
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide has a molecular weight of 287.82 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide is sourced from PubChem (CID 114233979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).