5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine

C19H25ClN4O2S — CID 110266454

IUPAC5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCCS(=O)(=O)N1CCCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C19H25ClN4O2S/c1-4-27(25,26)24-10-6-8-15(13-24)18-17(12-21-19(22-18)23(2)3)14-7-5-9-16(20)11-14/h5,7,9,11-12,15H,4,6,8,10,13H2,1-3H3
InChIKeyFMQMZVWBBVSRDX-UHFFFAOYSA-N
MW408.96 g/mol
LogP3.39
Rot. Bonds5

About 5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine

5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 110266454) has the molecular formula C19H25ClN4O2S and a molecular weight of 408.96 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine
PubChem CID110266454
Molecular FormulaC19H25ClN4O2S
Molecular Weight408.96 g/mol
Exact Mass408.14
IUPAC Name5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCCS(=O)(=O)N1CCCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C19H25ClN4O2S/c1-4-27(25,26)24-10-6-8-15(13-24)18-17(12-21-19(22-18)23(2)3)14-7-5-9-16(20)11-14/h5,7,9,11-12,15H,4,6,8,10,13H2,1-3H3
InChIKeyFMQMZVWBBVSRDX-UHFFFAOYSA-N
XLogP3.39
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.96
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-chlorophenyl)-N,N-dimethyl-4-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 92617455
5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 110266595
1-[3-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 110266496
(2R)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 92616167
4-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 92616128
5-(3-chlorophenyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 90058477
1-[(2R)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 95836572
1-[4-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-methylprop-2-en-1-one
CID 175655401
1-[4-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 92618288
(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95819020
1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92618082
1-[(2S)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 92616414

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine (CID 110266454) is 5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine is CCS(=O)(=O)N1CCCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1.
What is the InChIKey of 5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is FMQMZVWBBVSRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2S/c1-4-27(25,26)24-10-6-8-15(13-24)18-17(12-21-19(22-18)23(2)3)14-7-5-9-16(20)11-14/h5,7,9,11-12,15H,4,6,8,10,13H2,1-3H3.
What are the key properties of 5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine?
5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 408.96 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-(1-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 110266454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).