3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione

C20H18BrFN4O2 — CID 5310164

IUPAC3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(c3ccccc3F)CC2)[nH]c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C20H18BrFN4O2/c21-14-5-7-15(8-6-14)26-19(27)13-18(23-20(26)28)25-11-9-24(10-12-25)17-4-2-1-3-16(17)22/h1-8,13H,9-12H2,(H,23,28)
InChIKeyRVHVDNOBWGPJJT-UHFFFAOYSA-N
MW445.29 g/mol
LogP2.75
Rot. Bonds3

About 3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione

3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 5310164) has the molecular formula C20H18BrFN4O2 and a molecular weight of 445.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID5310164
Molecular FormulaC20H18BrFN4O2
Molecular Weight445.29 g/mol
Exact Mass444.06
IUPAC Name3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(c3ccccc3F)CC2)[nH]c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C20H18BrFN4O2/c21-14-5-7-15(8-6-14)26-19(27)13-18(23-20(26)28)25-11-9-24(10-12-25)17-4-2-1-3-16(17)22/h1-8,13H,9-12H2,(H,23,28)
InChIKeyRVHVDNOBWGPJJT-UHFFFAOYSA-N
XLogP2.75
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5E)-1-(4-bromophenyl)-5-[(2-piperidin-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione
CID 1577222
N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 991645
(5E)-1-(4-bromophenyl)-5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1040375
1-phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-[(4-bromophenyl)hydrazone]
CID 1356479
3-cyclohexyl-6-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 3244825
3-(4-bromophenyl)-6-morpholinopyrimidine-2,4(1H,3H)-dione
CID 4383512
6-(4-benzylpiperazin-1-yl)-3-(4-bromophenyl)-1H-pyrimidine-2,4-dione
CID 9550849
Ethyl 4-(1-(4-bromophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperazine-1-carboxylate
CID 9550852
N-(3-bromophenyl)-N'-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 15989532
N-(2-bromophenyl)-N'-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 15989534
3-(4-bromophenyl)-6-(4-(4-fluorophenyl)piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 16031967
N-{3-[(4-bromo-2-fluorophenyl)amino]-3-oxopropyl}-3-hydroxyquinoxaline-1(2H)-carboxamide
CID 17585559

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (CID 5310164) is 3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is O=c1cc(N2CCN(c3ccccc3F)CC2)[nH]c(=O)n1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is RVHVDNOBWGPJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN4O2/c21-14-5-7-15(8-6-14)26-19(27)13-18(23-20(26)28)25-11-9-24(10-12-25)17-4-2-1-3-16(17)22/h1-8,13H,9-12H2,(H,23,28).
What are the key properties of 3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 445.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 5310164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).