4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one

C15H17BrN4O — CID 171323759

IUPAC4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCN(Cc3ccc(Br)cc3)CC2)nc[nH]1
InChIInChI=1S/C15H17BrN4O/c16-13-3-1-12(2-4-13)10-19-5-7-20(8-6-19)14-9-15(21)18-11-17-14/h1-4,9,11H,5-8,10H2,(H,17,18,21)
InChIKeyLXJNTXUWAWTKSG-UHFFFAOYSA-N
MW349.23 g/mol
LogP1.85
Rot. Bonds3

About 4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one

4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 171323759) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID171323759
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCN(Cc3ccc(Br)cc3)CC2)nc[nH]1
InChIInChI=1S/C15H17BrN4O/c16-13-3-1-12(2-4-13)10-19-5-7-20(8-6-19)14-9-15(21)18-11-17-14/h1-4,9,11H,5-8,10H2,(H,17,18,21)
InChIKeyLXJNTXUWAWTKSG-UHFFFAOYSA-N
XLogP1.85
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135879444
4-[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135879443
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]ethanethioamide
CID 136973223
4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyrimidine
CID 155800347
2-fluoro-5-formylbenzonitrile;2-fluoro-5-[[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile;methane;4-piperazin-1-yl-1H-pyrimidin-6-one
CID 161156595
4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 155800699
4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136979374
5-fluoro-2-hydroxybenzaldehyde;4-[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one;4-piperazin-1-yl-1H-pyrimidin-6-one
CID 162255367
5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine
CID 43461948
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
4,13-bis[(4-bromophenyl)methyl]-7,16,21,24-tetramethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane
CID 166072778

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 171323759) is 4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCN(Cc3ccc(Br)cc3)CC2)nc[nH]1.
What is the InChIKey of 4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is LXJNTXUWAWTKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-13-3-1-12(2-4-13)10-19-5-7-20(8-6-19)14-9-15(21)18-11-17-14/h1-4,9,11H,5-8,10H2,(H,17,18,21).
What are the key properties of 4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one?
4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 349.23 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 171323759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).