5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one

C11H8BrClN2O2 — CID 66284950

IUPAC5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2ccccc2Cl)nc(O)c1Br
InChIInChI=1S/C11H8BrClN2O2/c12-9-10(16)14-8(15-11(9)17)5-6-3-1-2-4-7(6)13/h1-4H,5H2,(H2,14,15,16,17)
InChIKeyXZKDQCDAZMGSGY-UHFFFAOYSA-N
MW315.55 g/mol
LogP2.48
Rot. Bonds2

About 5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one

5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66284950) has the molecular formula C11H8BrClN2O2 and a molecular weight of 315.55 g/mol. Its IUPAC name is 5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66284950
Molecular FormulaC11H8BrClN2O2
Molecular Weight315.55 g/mol
Exact Mass313.95
IUPAC Name5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2ccccc2Cl)nc(O)c1Br
InChIInChI=1S/C11H8BrClN2O2/c12-9-10(16)14-8(15-11(9)17)5-6-3-1-2-4-7(6)13/h1-4H,5H2,(H2,14,15,16,17)
InChIKeyXZKDQCDAZMGSGY-UHFFFAOYSA-N
XLogP2.48
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66287562
5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66284565
2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612612
2-[(2-bromophenyl)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286771
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66284562
2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135850609
2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 82802809
5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66287561
4-(aminomethyl)-2-[(2-chlorophenyl)methyl]-1H-pyrimidin-6-one
CID 135978376
2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612279
2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide
CID 66623191
2-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62251173

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 66284950) is 5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(Cc2ccccc2Cl)nc(O)c1Br.
What is the InChIKey of 5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is XZKDQCDAZMGSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2/c12-9-10(16)14-8(15-11(9)17)5-6-3-1-2-4-7(6)13/h1-4H,5H2,(H2,14,15,16,17).
What are the key properties of 5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 315.55 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66284950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).