5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C10H5BrF2N2O2 — CID 66284556

IUPAC5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(F)cc(F)c2)nc(O)c1Br
InChIInChI=1S/C10H5BrF2N2O2/c11-7-9(16)14-8(15-10(7)17)4-1-5(12)3-6(13)2-4/h1-3H,(H2,14,15,16,17)
InChIKeyWGSHEQADOYCDJH-UHFFFAOYSA-N
MW303.06 g/mol
LogP2.18
Rot. Bonds1

About 5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66284556) has the molecular formula C10H5BrF2N2O2 and a molecular weight of 303.06 g/mol. Its IUPAC name is 5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66284556
Molecular FormulaC10H5BrF2N2O2
Molecular Weight303.06 g/mol
Exact Mass301.95
IUPAC Name5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(F)cc(F)c2)nc(O)c1Br
InChIInChI=1S/C10H5BrF2N2O2/c11-7-9(16)14-8(15-10(7)17)4-1-5(12)3-6(13)2-4/h1-3H,(H2,14,15,16,17)
InChIKeyWGSHEQADOYCDJH-UHFFFAOYSA-N
XLogP2.18
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.06
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 66424216
5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66285156
5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one
CID 66284557
5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66311914
5-bromo-2-(3,4-dimethoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286164
5-bromo-4-hydroxy-2-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrimidin-6-one
CID 66313864
5-bromo-2-(3-chloro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66312310
5-bromo-2-(4-bromo-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 103083543
2-(3-fluoro-5-hydroxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 137000727
5-bromo-4-hydroxy-2-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 66313092
5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 104770895
5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 81311672

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 66284556) is 5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc(F)cc(F)c2)nc(O)c1Br.
What is the InChIKey of 5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is WGSHEQADOYCDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF2N2O2/c11-7-9(16)14-8(15-10(7)17)4-1-5(12)3-6(13)2-4/h1-3H,(H2,14,15,16,17).
What are the key properties of 5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 303.06 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66284556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).