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

C11H7BrClFN2O2 — CID 66284565

IUPAC5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2c(F)cccc2Cl)nc(O)c1Br
InChIInChI=1S/C11H7BrClFN2O2/c12-9-10(17)15-8(16-11(9)18)4-5-6(13)2-1-3-7(5)14/h1-3H,4H2,(H2,15,16,17,18)
InChIKeyTWKFYQFOSDHNOJ-UHFFFAOYSA-N
MW333.54 g/mol
LogP2.62
Rot. Bonds2

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

5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66284565) has the molecular formula C11H7BrClFN2O2 and a molecular weight of 333.54 g/mol. Its IUPAC name is 5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66284565
Molecular FormulaC11H7BrClFN2O2
Molecular Weight333.54 g/mol
Exact Mass331.94
IUPAC Name5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2c(F)cccc2Cl)nc(O)c1Br
InChIInChI=1S/C11H7BrClFN2O2/c12-9-10(17)15-8(16-11(9)18)4-5-6(13)2-1-3-7(5)14/h1-3H,4H2,(H2,15,16,17,18)
InChIKeyTWKFYQFOSDHNOJ-UHFFFAOYSA-N
XLogP2.62
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.54
LogP ≤ 52.62
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-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66284950
2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612279
2-[(2-chloro-6-fluorophenyl)methyl]-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975205
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66284562
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-1H-benzimidazole
CID 64724734
2-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-1H-imidazole-4-carboxylic acid
CID 82305221
5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106480443
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
5-bromo-2-[(3-fluorophenyl)sulfanylmethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66287364
5-bromo-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one
CID 66316991

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 66284565) is 5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(Cc2c(F)cccc2Cl)nc(O)c1Br.
What is the InChIKey of 5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is TWKFYQFOSDHNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O2/c12-9-10(17)15-8(16-11(9)18)4-5-6(13)2-1-3-7(5)14/h1-3H,4H2,(H2,15,16,17,18).
What are the key properties of 5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 333.54 g/mol, XLogP of 2.62, 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-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66284565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).