N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide

C19H18F2N4O2S — CID 71234666

IUPACN-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCCc1ncnc(-c2c(F)cccc2F)c1-c1cnc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C19H18F2N4O2S/c1-4-15-17(12-8-16(11(2)22-9-12)25-28(3,26)27)19(24-10-23-15)18-13(20)6-5-7-14(18)21/h5-10,25H,4H2,1-3H3
InChIKeySPBLEOHMGKBPMU-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.73
Rot. Bonds5

About N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide

N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide (PubChem CID 71234666) has the molecular formula C19H18F2N4O2S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
PubChem CID71234666
Molecular FormulaC19H18F2N4O2S
Molecular Weight404.44 g/mol
Exact Mass404.11
IUPAC NameN-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCCc1ncnc(-c2c(F)cccc2F)c1-c1cnc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C19H18F2N4O2S/c1-4-15-17(12-8-16(11(2)22-9-12)25-28(3,26)27)19(24-10-23-15)18-13(20)6-5-7-14(18)21/h5-10,25H,4H2,1-3H3
InChIKeySPBLEOHMGKBPMU-UHFFFAOYSA-N
XLogP3.73
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 71234764
N-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 88919509
N-[5-[2-amino-4-ethyl-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 71229139
N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide
CID 123795564
N-[5-[2-[4-[6-(aminomethyl)-3-pyridinyl]-6-ethylpyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 71225522
4-ethyl-5-[2-[6-methyl-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethynyl]-6-phenylpyrimidin-2-amine
CID 161281784
N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide
CID 90313538
N-[5-[2-[2-amino-4-[3-[(dimethylamino)methyl]phenyl]-6-ethylpyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide
CID 71232953
2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 71229040
1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
CID 131962916
5-(2,6-difluorophenyl)-2-ethylpyridine
CID 171801039
2-chloro-N-[5-[2-[4-ethyl-6-(2-methyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]-4-methylbenzenesulfonamide
CID 71232961

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide (CID 71234666) is N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide is CCc1ncnc(-c2c(F)cccc2F)c1-c1cnc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
The InChIKey is SPBLEOHMGKBPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2S/c1-4-15-17(12-8-16(11(2)22-9-12)25-28(3,26)27)19(24-10-23-15)18-13(20)6-5-7-14(18)21/h5-10,25H,4H2,1-3H3.
What are the key properties of N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide?
N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide has a molecular weight of 404.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 71234666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).