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

C14H15ClN4O2 — CID 146025760

IUPAC6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)[nH]1
InChIInChI=1S/C14H15ClN4O2/c15-10-1-3-11(4-2-10)18-5-7-19(8-6-18)12-9-13(20)17-14(21)16-12/h1-4,9H,5-8H2,(H2,16,17,20,21)
InChIKeyISWPHFACVYDGBT-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.04
Rot. Bonds2

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

6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 146025760) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID146025760
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)[nH]1
InChIInChI=1S/C14H15ClN4O2/c15-10-1-3-11(4-2-10)18-5-7-19(8-6-18)12-9-13(20)17-14(21)16-12/h1-4,9H,5-8H2,(H2,16,17,20,21)
InChIKeyISWPHFACVYDGBT-UHFFFAOYSA-N
XLogP1.04
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (CID 146025760) is 6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is O=c1cc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is ISWPHFACVYDGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-10-1-3-11(4-2-10)18-5-7-19(8-6-18)12-9-13(20)17-14(21)16-12/h1-4,9H,5-8H2,(H2,16,17,20,21).
What are the key properties of 6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 306.75 g/mol, XLogP of 1.04, 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)piperazin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146025760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).