5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine

C24H31ClN6 — CID 110266595

IUPAC5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCCn1ncc(CN2CCCC(c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)c1C
InChIInChI=1S/C24H31ClN6/c1-5-31-17(2)20(13-27-31)16-30-11-7-9-19(15-30)23-22(14-26-24(28-23)29(3)4)18-8-6-10-21(25)12-18/h6,8,10,12-14,19H,5,7,9,11,15-16H2,1-4H3
InChIKeyOYFHRTBQGFPTHL-UHFFFAOYSA-N
MW439.01 g/mol
LogP4.77
Rot. Bonds6

About 5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine

5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 110266595) has the molecular formula C24H31ClN6 and a molecular weight of 439.01 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID110266595
Molecular FormulaC24H31ClN6
Molecular Weight439.01 g/mol
Exact Mass438.23
IUPAC Name5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCCn1ncc(CN2CCCC(c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)c1C
InChIInChI=1S/C24H31ClN6/c1-5-31-17(2)20(13-27-31)16-30-11-7-9-19(15-30)23-22(14-26-24(28-23)29(3)4)18-8-6-10-21(25)12-18/h6,8,10,12-14,19H,5,7,9,11,15-16H2,1-4H3
InChIKeyOYFHRTBQGFPTHL-UHFFFAOYSA-N
XLogP4.77
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.01
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-ethylsulfonylpiperidin-3-yl)-N,N-dimethylpyrimidin-2-amine
CID 110266454
4-[(2S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 92616351
4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266195
1-[3-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 110266496
5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 92617678
5-(3-chlorophenyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 90058477
4-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 95836596
5-(3-fluorophenyl)-4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 110266628
(2R)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 92616167
2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92589629
1-[(2R)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 95836572

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine (CID 110266595) is 5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine is CCn1ncc(CN2CCCC(c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)c1C.
What is the InChIKey of 5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is OYFHRTBQGFPTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6/c1-5-31-17(2)20(13-27-31)16-30-11-7-9-19(15-30)23-22(14-26-24(28-23)29(3)4)18-8-6-10-21(25)12-18/h6,8,10,12-14,19H,5,7,9,11,15-16H2,1-4H3.
What are the key properties of 5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine?
5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 439.01 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 110266595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).