4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine

C23H25FN4O2S — CID 110266464

IUPAC4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccccc2F)c(C2CCCN(S(=O)(=O)c3ccccc3)C2)n1
InChIInChI=1S/C23H25FN4O2S/c1-27(2)23-25-15-20(19-12-6-7-13-21(19)24)22(26-23)17-9-8-14-28(16-17)31(29,30)18-10-4-3-5-11-18/h3-7,10-13,15,17H,8-9,14,16H2,1-2H3
InChIKeyHWFKQWAMERDZDV-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.92
Rot. Bonds5

About 4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine

4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 110266464) has the molecular formula C23H25FN4O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
PubChem CID110266464
Molecular FormulaC23H25FN4O2S
Molecular Weight440.54 g/mol
Exact Mass440.17
IUPAC Name4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccccc2F)c(C2CCCN(S(=O)(=O)c3ccccc3)C2)n1
InChIInChI=1S/C23H25FN4O2S/c1-27(2)23-25-15-20(19-12-6-7-13-21(19)24)22(26-23)17-9-8-14-28(16-17)31(29,30)18-10-4-3-5-11-18/h3-7,10-13,15,17H,8-9,14,16H2,1-2H3
InChIKeyHWFKQWAMERDZDV-UHFFFAOYSA-N
XLogP3.92
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluorophenyl)-N,N-dimethyl-4-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 92617570
[(3R)-3-[2-(dimethylamino)-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92617503
[(3R)-3-[2-(dimethylamino)-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 92617366
4-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 95836596
5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine
CID 110094374
5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine
CID 110266454
1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92618082
[3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 110266511
4-[2-(dimethylamino)-4-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 92618065
4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 92618206
2-[3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 110266436
4-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 92616128

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine (CID 110266464) is 4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(-c2ccccc2F)c(C2CCCN(S(=O)(=O)c3ccccc3)C2)n1.
What is the InChIKey of 4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is HWFKQWAMERDZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2S/c1-27(2)23-25-15-20(19-12-6-7-13-21(19)24)22(26-23)17-9-8-14-28(16-17)31(29,30)18-10-4-3-5-11-18/h3-7,10-13,15,17H,8-9,14,16H2,1-2H3.
What are the key properties of 4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine?
4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 440.54 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 110266464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).