6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

C15H14BrClN4O3 — CID 156905882

IUPAC6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C15H14BrClN4O3/c16-10-2-1-9(7-11(10)17)20-3-5-21(6-4-20)14(23)12-8-13(22)19-15(24)18-12/h1-2,7-8H,3-6H2,(H2,18,19,22,24)
InChIKeyLMYRFZVTGXUSKU-UHFFFAOYSA-N
MW413.66 g/mol
LogP1.44
Rot. Bonds2

About 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 156905882) has the molecular formula C15H14BrClN4O3 and a molecular weight of 413.66 g/mol. Its IUPAC name is 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID156905882
Molecular FormulaC15H14BrClN4O3
Molecular Weight413.66 g/mol
Exact Mass411.99
IUPAC Name6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C15H14BrClN4O3/c16-10-2-1-9(7-11(10)17)20-3-5-21(6-4-20)14(23)12-8-13(22)19-15(24)18-12/h1-2,7-8H,3-6H2,(H2,18,19,22,24)
InChIKeyLMYRFZVTGXUSKU-UHFFFAOYSA-N
XLogP1.44
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.66
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-(3,4-dichlorophenyl)piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 72894274
7-Bromo-8-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-1,3-dimethyl-6,9,9a,10-tetrahydropurino[7,8-a]pyrimidine-2,4-dione
CID 44401719
N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 985716
6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 156905887
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110698271
N-(4-bromophenyl)-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamide
CID 17500583
N-(4-bromo-5-chloro-2-fluorophenyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide
CID 169209010
6-(4-(3-chlorophenyl)piperazin-1-yl)-3-methylpyrimidine-2,4(1H,3H)-dione
CID 7080823
N-(4-bromophenyl)-N'-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}urea
CID 22430314
1-(4-Bromophenyl)-3-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}urea
CID 22430317
N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 2988266
6-[4-(3,4-dichlorophenyl)piperazin-4-ium-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 155925969

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 156905882) is 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(Br)c(Cl)c2)CC1.
What is the InChIKey of 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LMYRFZVTGXUSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN4O3/c16-10-2-1-9(7-11(10)17)20-3-5-21(6-4-20)14(23)12-8-13(22)19-15(24)18-12/h1-2,7-8H,3-6H2,(H2,18,19,22,24).
What are the key properties of 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 413.66 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 156905882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).