6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

C17H21ClN4O2 — CID 146142609

IUPAC6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC(c1ccccc1Cl)N1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1
InChIInChI=1S/C17H21ClN4O2/c1-12(13-5-3-4-6-14(13)18)21-7-9-22(10-8-21)15-11-16(23)20(2)17(24)19-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,24)
InChIKeyCIGNHBJVUUYEPU-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.61
Rot. Bonds3

About 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 146142609) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID146142609
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC(c1ccccc1Cl)N1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1
InChIInChI=1S/C17H21ClN4O2/c1-12(13-5-3-4-6-14(13)18)21-7-9-22(10-8-21)15-11-16(23)20(2)17(24)19-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,24)
InChIKeyCIGNHBJVUUYEPU-UHFFFAOYSA-N
XLogP1.61
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55761742
2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol
CID 8528818
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 122052880
1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine
CID 9443316
1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747278
1-[1-(2-chlorophenyl)ethyl]imidazolidin-2-one
CID 115370564
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 95619699
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 56786100
6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 71976874
6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 138014765

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 146142609) is 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is CC(c1ccccc1Cl)N1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1.
What is the InChIKey of 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is CIGNHBJVUUYEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-12(13-5-3-4-6-14(13)18)21-7-9-22(10-8-21)15-11-16(23)20(2)17(24)19-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,24).
What are the key properties of 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 348.83 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146142609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).