2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide

C7H8ClN3OS — CID 130489954

IUPAC2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cc(Cl)ncn1
InChIInChI=1S/C7H8ClN3OS/c1-9-6(12)3-13-7-2-5(8)10-4-11-7/h2,4H,3H2,1H3,(H,9,12)
InChIKeyREEPBULBHTYHCF-UHFFFAOYSA-N
MW217.68 g/mol
LogP0.97
Rot. Bonds3

About 2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide

2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide (PubChem CID 130489954) has the molecular formula C7H8ClN3OS and a molecular weight of 217.68 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide
PubChem CID130489954
Molecular FormulaC7H8ClN3OS
Molecular Weight217.68 g/mol
Exact Mass217.01
IUPAC Name2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cc(Cl)ncn1
InChIInChI=1S/C7H8ClN3OS/c1-9-6(12)3-13-7-2-5(8)10-4-11-7/h2,4H,3H2,1H3,(H,9,12)
InChIKeyREEPBULBHTYHCF-UHFFFAOYSA-N
XLogP0.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide
CID 130489953
N-methyl-2-pyrimidin-2-ylsulfanylacetamide
CID 21061194
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide
CID 130489940
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 117068723
N-methyl-2-[(3-methyl-2-pyridinyl)sulfanyl]acetamide
CID 130638391
methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate
CID 115417331
2-(6-phenoxypyrimidin-4-yl)sulfanylacetohydrazide
CID 3071613
2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide
CID 110277663
N-(4-acetamidophenyl)-2-[6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]sulfanylacetamide
CID 46396817
N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide
CID 16876410
N-(3-chloro-4-methylphenyl)-2-(6-thiomorpholin-4-ylpyrimidin-4-yl)sulfanylacetamide
CID 71802605
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
CID 160592150

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide (CID 130489954) is 2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide is CNC(=O)CSc1cc(Cl)ncn1.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide?
The InChIKey is REEPBULBHTYHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3OS/c1-9-6(12)3-13-7-2-5(8)10-4-11-7/h2,4H,3H2,1H3,(H,9,12).
What are the key properties of 2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide?
2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide has a molecular weight of 217.68 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 130489954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).