3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione

C17H20ClN3O2 — CID 18553820

IUPAC3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCC1CC(C)CN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)C1
InChIInChI=1S/C17H20ClN3O2/c1-11-7-12(2)10-20(9-11)15-8-16(22)21(17(23)19-15)14-6-4-3-5-13(14)18/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,19,23)
InChIKeyOZESSHBVPYKFPG-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.66
Rot. Bonds2

About 3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione

3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 18553820) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID18553820
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCC1CC(C)CN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)C1
InChIInChI=1S/C17H20ClN3O2/c1-11-7-12(2)10-20(9-11)15-8-16(22)21(17(23)19-15)14-6-4-3-5-13(14)18/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,19,23)
InChIKeyOZESSHBVPYKFPG-UHFFFAOYSA-N
XLogP2.66
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SR1848
CID 3238389
1-(2-Chlorophenylcarbamoyl)-2-methylpiperidine
CID 3136155
6-(4-Chloroanilino)-1,3-dimethylpyrimidine-2,4-dione
CID 777117
2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2469805
N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 4880320
6-amino-3-benzyl-1-(4-chlorophenyl)-2,4(1H,3H)-pyrimidinedione
CID 2823053
6-(4-chloroanilino)-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 777252
3-(4-chlorophenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
CID 396879
3-(5-chloro-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 3235600
3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 3236303
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethylacetamide
CID 3925054
1-(1-Acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea
CID 4256157

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione (CID 18553820) is 3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione is CC1CC(C)CN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)C1.
What is the InChIKey of 3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is OZESSHBVPYKFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-7-12(2)10-20(9-11)15-8-16(22)21(17(23)19-15)14-6-4-3-5-13(14)18/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,19,23).
What are the key properties of 3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 333.82 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 18553820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).