5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one

C11H9BrN2O3 — CID 135737353

IUPAC5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)c(O)ncn1Cc1ccc(O)cc1
InChIInChI=1S/C11H9BrN2O3/c12-9-10(16)13-6-14(11(9)17)5-7-1-3-8(15)4-2-7/h1-4,6,15-16H,5H2
InChIKeyNPXOCUDWDFLDOA-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.47
Rot. Bonds2

About 5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one

5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one (PubChem CID 135737353) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is 5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one
PubChem CID135737353
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)c(O)ncn1Cc1ccc(O)cc1
InChIInChI=1S/C11H9BrN2O3/c12-9-10(16)13-6-14(11(9)17)5-7-1-3-8(15)4-2-7/h1-4,6,15-16H,5H2
InChIKeyNPXOCUDWDFLDOA-UHFFFAOYSA-N
XLogP1.47
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one
CID 135737352
4-[(4,5-dimethylimidazol-1-yl)methyl]phenol
CID 116621780
5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one
CID 21089612
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
5-bromo-3-[(4-bromophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090138
5-bromo-6-chloro-3-(thiophen-3-ylmethyl)pyrimidin-4-one
CID 114583667
5-bromo-3-[(3,4-dichlorophenyl)methyl]-6-methylpyrimidin-4-one
CID 66308965
4-[(5-bromo-4-methyl-6-oxopyrimidin-1-yl)methyl]benzohydrazide
CID 66310700
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
5-amino-3-[(4-bromophenyl)methyl]-6-chloropyrimidin-4-one
CID 114582782
5-bromo-6-[(4-fluorophenyl)methoxy]-3-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
CID 21089821

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one (CID 135737353) is 5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one is O=c1c(Br)c(O)ncn1Cc1ccc(O)cc1.
What is the InChIKey of 5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one?
The InChIKey is NPXOCUDWDFLDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c12-9-10(16)13-6-14(11(9)17)5-7-1-3-8(15)4-2-7/h1-4,6,15-16H,5H2.
What are the key properties of 5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one?
5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one has a molecular weight of 297.11 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 135737353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).