6-(3-bromophenyl)-1H-pyrimidin-2-one

C10H7BrN2O — CID 57438375

IUPAC6-(3-bromophenyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C10H7BrN2O/c11-8-3-1-2-7(6-8)9-4-5-12-10(14)13-9/h1-6H,(H,12,13,14)
InChIKeyYBUXCGXGEJLZBJ-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.20
Rot. Bonds1

About 6-(3-bromophenyl)-1H-pyrimidin-2-one

6-(3-bromophenyl)-1H-pyrimidin-2-one (PubChem CID 57438375) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 6-(3-bromophenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(3-bromophenyl)-1H-pyrimidin-2-one
PubChem CID57438375
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name6-(3-bromophenyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C10H7BrN2O/c11-8-3-1-2-7(6-8)9-4-5-12-10(14)13-9/h1-6H,(H,12,13,14)
InChIKeyYBUXCGXGEJLZBJ-UHFFFAOYSA-N
XLogP2.20
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588493
6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one
CID 123297438
2-(3-bromophenyl)pyrimidine
CID 26967381
3,5-bis(3-bromophenyl)-1H-pyrazole
CID 19587667
5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51038398
5-(3-bromophenyl)-2-tert-butyl-1H-imidazole
CID 59836686
5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole
CID 89481039
2-(3-bromophenyl)-1H-imidazo[1,2-a]pyridin-5-one
CID 117128163
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine
CID 43649869
6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione
CID 122239111
2-(3-bromophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021110
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60843198

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(3-bromophenyl)-1H-pyrimidin-2-one (CID 57438375) is 6-(3-bromophenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(3-bromophenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(3-bromophenyl)-1H-pyrimidin-2-one is O=c1nccc(-c2cccc(Br)c2)[nH]1.
What is the InChIKey of 6-(3-bromophenyl)-1H-pyrimidin-2-one?
The InChIKey is YBUXCGXGEJLZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-8-3-1-2-7(6-8)9-4-5-12-10(14)13-9/h1-6H,(H,12,13,14).
What are the key properties of 6-(3-bromophenyl)-1H-pyrimidin-2-one?
6-(3-bromophenyl)-1H-pyrimidin-2-one has a molecular weight of 251.08 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 57438375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).