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

C23H29ClN6 — CID 92617678

IUPAC5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCCn1cc(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C23H29ClN6/c1-4-30-15-17(12-26-30)14-29-11-5-6-19(16-29)22-21(13-25-23(27-22)28(2)3)18-7-9-20(24)10-8-18/h7-10,12-13,15,19H,4-6,11,14,16H2,1-3H3/t19-/m1/s1
InChIKeySKSZINHONIQRGI-LJQANCHMSA-N
MW424.98 g/mol
LogP4.46
Rot. Bonds6

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

5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 92617678) has the molecular formula C23H29ClN6 and a molecular weight of 424.98 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID92617678
Molecular FormulaC23H29ClN6
Molecular Weight424.98 g/mol
Exact Mass424.21
IUPAC Name5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCCn1cc(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C23H29ClN6/c1-4-30-15-17(12-26-30)14-29-11-5-6-19(16-29)22-21(13-25-23(27-22)28(2)3)18-7-9-20(24)10-8-18/h7-10,12-13,15,19H,4-6,11,14,16H2,1-3H3/t19-/m1/s1
InChIKeySKSZINHONIQRGI-LJQANCHMSA-N
XLogP4.46
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-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
1-[(3R)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124991508
5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
CID 110266191
1-[3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 110266641
4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 110266742
4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266401
1-[(3S)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-ethoxyethanone
CID 124994728
1-[(3R)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 92617978
1-[(3S)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 92617470
5-(3-chlorophenyl)-4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 110266595
[2-[(3R)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] acetate
CID 124966477
1-[(3R)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 124964074

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine (CID 92617678) is 5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine is CCn1cc(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of 5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is SKSZINHONIQRGI-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29ClN6/c1-4-30-15-17(12-26-30)14-29-11-5-6-19(16-29)22-21(13-25-23(27-22)28(2)3)18-7-9-20(24)10-8-18/h7-10,12-13,15,19H,4-6,11,14,16H2,1-3H3/t19-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine?
5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 424.98 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 92617678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).