2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one

C16H11BrN2O — CID 135420363

IUPAC2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C16H11BrN2O/c17-13-8-6-12(7-9-13)16-18-14(10-15(20)19-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)
InChIKeyNWLGEROFKWQNOK-UHFFFAOYSA-N
MW327.18 g/mol
LogP3.87
Rot. Bonds2

About 2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one

2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135420363) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID135420363
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C16H11BrN2O/c17-13-8-6-12(7-9-13)16-18-14(10-15(20)19-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)
InChIKeyNWLGEROFKWQNOK-UHFFFAOYSA-N
XLogP3.87
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
2-(4-Bromo-phenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 1081354
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
6-phenyl-2-[(E)-2-phenylethenyl]pyrimidin-4(1H)-one
CID 135580273
1-[(Z)-C-(4-bromophenyl)-N-hydroxycarbonimidoyl]-6-methylpyrimidine-2,4-dione
CID 145988451
(4Z)-2-(4-Bromophenyl)-4-[(2-fluorophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 135443017
6-Benzyl-2-(4-bromophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091054
6-Ethyl-2-phenylpyrimidin-4(1H)-one
CID 135629822
4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136740726
(5E)-2-(4-bromophenyl)-5-[(2-fluorophenyl)methylidene]-1H-imidazol-4-one
CID 135421638
2,6-Diphenylpyrimidin-4-ol
CID 135475560
5-bromo-4-ethyl-2-phenyl-1H-pyrimidin-6-one
CID 136256111

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one (CID 135420363) is 2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is NWLGEROFKWQNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-13-8-6-12(7-9-13)16-18-14(10-15(20)19-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20).
What are the key properties of 2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one?
2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 327.18 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135420363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).