4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine

C15H21N5O2S — CID 110101083

IUPAC4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine
SMILESCCn1nccc1-c1cc(C)nc(C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H21N5O2S/c1-4-19-13(7-8-16-19)12-10-11(2)17-15(18-12)14-6-5-9-20(14)23(3,21)22/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyNGLCIVVGIDPZRN-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.76
Rot. Bonds4

About 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine

4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine (PubChem CID 110101083) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine
PubChem CID110101083
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine
SMILESCCn1nccc1-c1cc(C)nc(C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H21N5O2S/c1-4-19-13(7-8-16-19)12-10-11(2)17-15(18-12)14-6-5-9-20(14)23(3,21)22/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyNGLCIVVGIDPZRN-UHFFFAOYSA-N
XLogP1.76
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002852
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002851
2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110101091
(2R)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125026555
(2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124948122
N,N-dimethyl-2-[4-methyl-6-(2-propylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 127245981
4-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)-6-(trifluoromethyl)pyrimidine
CID 110259453
4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine
CID 124997758
4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
CID 110101210
4-methyl-6-(3-methylimidazol-4-yl)-2-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110131743
3-[6-methyl-2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]benzoic acid
CID 124968580
3-[6-methyl-2-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]propanamide
CID 95826563

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine?
The IUPAC name of 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine (CID 110101083) is 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine.
What is the SMILES notation for 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine?
The canonical SMILES for 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine is CCn1nccc1-c1cc(C)nc(C2CCCN2S(C)(=O)=O)n1.
What is the InChIKey of 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine?
The InChIKey is NGLCIVVGIDPZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-4-19-13(7-8-16-19)12-10-11(2)17-15(18-12)14-6-5-9-20(14)23(3,21)22/h7-8,10,14H,4-6,9H2,1-3H3.
What are the key properties of 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine?
4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine has a molecular weight of 335.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine is sourced from PubChem (CID 110101083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).