6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

C15H15ClN4O3 — CID 156905887

IUPAC6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H15ClN4O3/c16-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14(22)12-9-13(21)18-15(23)17-12/h1-4,9H,5-8H2,(H2,17,18,21,23)
InChIKeyUPTYXISDRSIHCH-UHFFFAOYSA-N
MW334.76 g/mol
LogP0.68
Rot. Bonds2

About 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 156905887) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID156905887
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC Name6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H15ClN4O3/c16-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14(22)12-9-13(21)18-15(23)17-12/h1-4,9H,5-8H2,(H2,17,18,21,23)
InChIKeyUPTYXISDRSIHCH-UHFFFAOYSA-N
XLogP0.68
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 156905887) is 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UPTYXISDRSIHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c16-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14(22)12-9-13(21)18-15(23)17-12/h1-4,9H,5-8H2,(H2,17,18,21,23).
What are the key properties of 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 334.76 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 156905887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).