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

C20H19ClN4O2 — CID 3236303

IUPAC3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C20H19ClN4O2/c21-16-8-4-5-9-17(16)25-19(26)14-18(22-20(25)27)24-12-10-23(11-13-24)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,27)
InChIKeyWMTFBEMOMRWSBM-UHFFFAOYSA-N
MW382.85 g/mol
LogP2.51
Rot. Bonds3

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

3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 3236303) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID3236303
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C20H19ClN4O2/c21-16-8-4-5-9-17(16)25-19(26)14-18(22-20(25)27)24-12-10-23(11-13-24)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,27)
InChIKeyWMTFBEMOMRWSBM-UHFFFAOYSA-N
XLogP2.51
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

SR1848
CID 3238389
N-(3-Chlorophenyl)-4-phenyl-1-piperazinecarboxamide
CID 858193
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2115027
2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2469805
N-(2-chlorophenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 6467226
N-(2-chlorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 2054164
N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 1342307
1-(4-Chlorophenyl)-3-(2-(4-phenylpiperazin-1-yl)ethyl)urea
CID 22430376
N-(2-chlorophenyl)-N'-[2-(4-propylpiperazin-1-yl)ethyl]urea
CID 22430387
N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 600179
N-{2-[4-(2-chlorophenyl)-1-piperazinyl]ethyl}-N'-phenylurea
CID 1257314
N-(3-chlorophenyl)-N'-[2-(4-phenyl-1-piperazinyl)ethyl]urea
CID 2212248

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (CID 3236303) is 3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is WMTFBEMOMRWSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-16-8-4-5-9-17(16)25-19(26)14-18(22-20(25)27)24-12-10-23(11-13-24)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,27).
What are the key properties of 3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 382.85 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3236303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).