6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide

C12H10ClN3O2S — CID 123262355

IUPAC6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide
SMILESCS(=O)NC(=O)c1cc(-c2cccc(Cl)c2)ncn1
InChIInChI=1S/C12H10ClN3O2S/c1-19(18)16-12(17)11-6-10(14-7-15-11)8-3-2-4-9(13)5-8/h2-7H,1H3,(H,16,17)
InChIKeyNKXLKEFOEVYBOH-UHFFFAOYSA-N
MW295.75 g/mol
LogP1.82
Rot. Bonds3

About 6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide

6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide (PubChem CID 123262355) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide
PubChem CID123262355
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide
SMILESCS(=O)NC(=O)c1cc(-c2cccc(Cl)c2)ncn1
InChIInChI=1S/C12H10ClN3O2S/c1-19(18)16-12(17)11-6-10(14-7-15-11)8-3-2-4-9(13)5-8/h2-7H,1H3,(H,16,17)
InChIKeyNKXLKEFOEVYBOH-UHFFFAOYSA-N
XLogP1.82
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 44634057
6-(3-chlorophenyl)-N-[(1R)-1-phenylethyl]pyrimidine-4-carboxamide
CID 44634188
6-(3-chlorophenyl)-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide
CID 67218065
6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 44634187
bis(1-[6-(3-chlorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylethanone);hydrochloride
CID 160624132
4-(3-chlorophenyl)-6-methylpyrimidine;morpholine-4-carbaldehyde
CID 144544689
6-(3-chlorophenyl)pyrimidine-4-carboxylic acid;1-[6-(3-chlorophenyl)pyrimidin-4-yl]-3-hydroxyiminobutan-1-one;5-[6-(3-chlorophenyl)pyrimidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 158063159
methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate
CID 71282712
4-(3-chlorophenyl)-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
CID 89301361
6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 67218380
N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340306
3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid
CID 171713642

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide (CID 123262355) is 6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide is CS(=O)NC(=O)c1cc(-c2cccc(Cl)c2)ncn1.
What is the InChIKey of 6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide?
The InChIKey is NKXLKEFOEVYBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c1-19(18)16-12(17)11-6-10(14-7-15-11)8-3-2-4-9(13)5-8/h2-7H,1H3,(H,16,17).
What are the key properties of 6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide?
6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide has a molecular weight of 295.75 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide is sourced from PubChem (CID 123262355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).