4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine

C18H17N3O2S2 — CID 133303887

IUPAC4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine
SMILESCCc1cc(Sc2ccccc2S(C)(=O)=O)nc(-c2ccncc2)n1
InChIInChI=1S/C18H17N3O2S2/c1-3-14-12-17(21-18(20-14)13-8-10-19-11-9-13)24-15-6-4-5-7-16(15)25(2,22)23/h4-12H,3H2,1-2H3
InChIKeyXUSFXWKPHOJQIJ-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.66
Rot. Bonds5

About 4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine

4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine (PubChem CID 133303887) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine
PubChem CID133303887
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine
SMILESCCc1cc(Sc2ccccc2S(C)(=O)=O)nc(-c2ccncc2)n1
InChIInChI=1S/C18H17N3O2S2/c1-3-14-12-17(21-18(20-14)13-8-10-19-11-9-13)24-15-6-4-5-7-16(15)25(2,22)23/h4-12H,3H2,1-2H3
InChIKeyXUSFXWKPHOJQIJ-UHFFFAOYSA-N
XLogP3.66
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine
CID 133303853
[5-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanol
CID 133385474
N-[3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 56804311
N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133294320
6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
CID 133449281
6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133294768
4-(2-methyl-3-methylsulfonylphenyl)pyridine
CID 57448063
4-(benzenesulfonylmethyl)-6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine
CID 2767411
N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 166363517
2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol
CID 71996386
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
CID 56785557

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine (CID 133303887) is 4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine is CCc1cc(Sc2ccccc2S(C)(=O)=O)nc(-c2ccncc2)n1.
What is the InChIKey of 4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine?
The InChIKey is XUSFXWKPHOJQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-3-14-12-17(21-18(20-14)13-8-10-19-11-9-13)24-15-6-4-5-7-16(15)25(2,22)23/h4-12H,3H2,1-2H3.
What are the key properties of 4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine?
4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine has a molecular weight of 371.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(2-methylsulfonylphenyl)sulfanyl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 133303887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).