[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol

C12H10BrFN2O — CID 107924240

IUPAC[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C12H10BrFN2O/c1-7-4-9(6-17)16-12(15-7)10-5-8(14)2-3-11(10)13/h2-5,17H,6H2,1H3
InChIKeyINSOIXFOWRSYPE-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.85
Rot. Bonds2

About [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol

[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol (PubChem CID 107924240) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol
PubChem CID107924240
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C12H10BrFN2O/c1-7-4-9(6-17)16-12(15-7)10-5-8(14)2-3-11(10)13/h2-5,17H,6H2,1H3
InChIKeyINSOIXFOWRSYPE-UHFFFAOYSA-N
XLogP2.85
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine
CID 107923946
[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 107924057
2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 107923864
2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 107924270
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 107924174
2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine
CID 114016371
3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 107924268
[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
CID 106819856
[6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol
CID 106849805
(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methanol
CID 62743365
2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine
CID 107923785
1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine
CID 114016403

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol (CID 107924240) is [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol is Cc1cc(CO)nc(-c2cc(F)ccc2Br)n1.
What is the InChIKey of [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol?
The InChIKey is INSOIXFOWRSYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-7-4-9(6-17)16-12(15-7)10-5-8(14)2-3-11(10)13/h2-5,17H,6H2,1H3.
What are the key properties of [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol?
[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol has a molecular weight of 297.13 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 107924240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).