4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide

C19H18FN5O3S — CID 163291294

IUPAC4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(F)c1Nc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C(N)=O
InChIInChI=1S/C19H18FN5O3S/c1-11-4-3-5-15(20)16(11)24-18-14(17(21)26)10-22-19(25-18)23-12-6-8-13(9-7-12)29(2,27)28/h3-10H,1-2H3,(H2,21,26)(H2,22,23,24,25)
InChIKeyCGPSYBJBRKHSHA-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.91
Rot. Bonds6

About 4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide

4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide (PubChem CID 163291294) has the molecular formula C19H18FN5O3S and a molecular weight of 415.45 g/mol. Its IUPAC name is 4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide
PubChem CID163291294
Molecular FormulaC19H18FN5O3S
Molecular Weight415.45 g/mol
Exact Mass415.11
IUPAC Name4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(F)c1Nc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C(N)=O
InChIInChI=1S/C19H18FN5O3S/c1-11-4-3-5-15(20)16(11)24-18-14(17(21)26)10-22-19(25-18)23-12-6-8-13(9-7-12)29(2,27)28/h3-10H,1-2H3,(H2,21,26)(H2,22,23,24,25)
InChIKeyCGPSYBJBRKHSHA-UHFFFAOYSA-N
XLogP2.91
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
CID 90153688
4-({4-[(2-Fluoro-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 6539017
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 6
CID 53319075
N-methyl-2-[[5-methyl-2-[3-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 44526249
N-methyl-N-(2-((2-(4-(methylsulfonyl)phenylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)phenyl)methanesulfonamide
CID 44563062
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 75201717
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 155517004
6-[(5-Fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 155546008
2-methyl-N-[4-({4-[(E)-2-phenylethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]propanamide
CID 5929378
1-(3-Methylpyridin-2-yl)-N-(4-(trifluoromethylsulfonyl)phenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 44579758
4-[(5,11-Dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]-3-methylbenzenesulfonamide
CID 68034365
N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
CID 123295297

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide (CID 163291294) is 4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide is Cc1cccc(F)c1Nc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C(N)=O.
What is the InChIKey of 4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide?
The InChIKey is CGPSYBJBRKHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3S/c1-11-4-3-5-15(20)16(11)24-18-14(17(21)26)10-22-19(25-18)23-12-6-8-13(9-7-12)29(2,27)28/h3-10H,1-2H3,(H2,21,26)(H2,22,23,24,25).
What are the key properties of 4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide?
4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methylanilino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 163291294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).