N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide

C12H10FN3O2S — CID 86760384

IUPACN-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide
SMILESCS(=O)c1ncc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C12H10FN3O2S/c1-19(18)12-14-6-8(7-15-12)11(17)16-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,16,17)
InChIKeyAMRKLEOCOCSXHN-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.61
Rot. Bonds3

About N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide

N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide (PubChem CID 86760384) has the molecular formula C12H10FN3O2S and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide
PubChem CID86760384
Molecular FormulaC12H10FN3O2S
Molecular Weight279.30 g/mol
Exact Mass279.05
IUPAC NameN-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide
SMILESCS(=O)c1ncc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C12H10FN3O2S/c1-19(18)12-14-6-8(7-15-12)11(17)16-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,16,17)
InChIKeyAMRKLEOCOCSXHN-UHFFFAOYSA-N
XLogP1.61
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246780
N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268536
2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 91398668
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256548
5-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167429
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide
CID 90948178
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide
CID 96565912
N-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110858705
N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268578

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide (CID 86760384) is N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide is CS(=O)c1ncc(C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide?
The InChIKey is AMRKLEOCOCSXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S/c1-19(18)12-14-6-8(7-15-12)11(17)16-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,16,17).
What are the key properties of N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide?
N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide is sourced from PubChem (CID 86760384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).