5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione

C16H17ClN4O3 — CID 71778343

IUPAC5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1=O
InChIInChI=1S/C16H17ClN4O3/c1-19-14(22)11(10-18-16(19)24)15(23)21-8-6-20(7-9-21)13-5-3-2-4-12(13)17/h2-5,10H,6-9H2,1H3,(H,18,24)
InChIKeyKPFUEEYYMMQVLX-UHFFFAOYSA-N
MW348.79 g/mol
LogP0.69
Rot. Bonds2

About 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 71778343) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID71778343
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1=O
InChIInChI=1S/C16H17ClN4O3/c1-19-14(22)11(10-18-16(19)24)15(23)21-8-6-20(7-9-21)13-5-3-2-4-12(13)17/h2-5,10H,6-9H2,1H3,(H,18,24)
InChIKeyKPFUEEYYMMQVLX-UHFFFAOYSA-N
XLogP0.69
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 71778354
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 71778344
[4-(2-chlorophenyl)piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 51309762
3-[(2-chlorophenyl)methyl]-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 71778444
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
(5-amino-2-methylphenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 120639418
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6468388
[4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 112729784
3-[(2-chlorophenyl)methyl]-5-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121027345
[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone
CID 70315409
[4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 131929401
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121026015

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 71778343) is 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1=O.
What is the InChIKey of 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is KPFUEEYYMMQVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-19-14(22)11(10-18-16(19)24)15(23)21-8-6-20(7-9-21)13-5-3-2-4-12(13)17/h2-5,10H,6-9H2,1H3,(H,18,24).
What are the key properties of 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 348.79 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 71778343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).