2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine

C13H12BrFN2O3 — CID 141092576

IUPAC2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(Oc2cccc(F)c2CBr)n1
InChIInChI=1S/C13H12BrFN2O3/c1-18-11-6-12(19-2)17-13(16-11)20-10-5-3-4-9(15)8(10)7-14/h3-6H,7H2,1-2H3
InChIKeyDQWGXJAGTUKSMF-UHFFFAOYSA-N
MW343.15 g/mol
LogP3.32
Rot. Bonds5

About 2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine

2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine (PubChem CID 141092576) has the molecular formula C13H12BrFN2O3 and a molecular weight of 343.15 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine
PubChem CID141092576
Molecular FormulaC13H12BrFN2O3
Molecular Weight343.15 g/mol
Exact Mass342.00
IUPAC Name2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(Oc2cccc(F)c2CBr)n1
InChIInChI=1S/C13H12BrFN2O3/c1-18-11-6-12(19-2)17-13(16-11)20-10-5-3-4-9(15)8(10)7-14/h3-6H,7H2,1-2H3
InChIKeyDQWGXJAGTUKSMF-UHFFFAOYSA-N
XLogP3.32
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.15
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluorophenyl]ethoxy]ethyl]-3-fluorophenoxy]-4,6-dimethoxypyrimidine
CID 139604836
[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
CID 54218781
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene
CID 114065514
disodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate;hydride
CID 173060137
2-(bromomethyl)-1-fluoro-3-(3-propan-2-ylphenoxy)benzene
CID 114065527
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949
2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate
CID 141043320
3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine
CID 52934007
2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 19801417
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
3,4-dichloro-N-[[2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methyl]aniline
CID 102206413

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine?
The IUPAC name of 2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine (CID 141092576) is 2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine is COc1cc(OC)nc(Oc2cccc(F)c2CBr)n1.
What is the InChIKey of 2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine?
The InChIKey is DQWGXJAGTUKSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O3/c1-18-11-6-12(19-2)17-13(16-11)20-10-5-3-4-9(15)8(10)7-14/h3-6H,7H2,1-2H3.
What are the key properties of 2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine?
2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine has a molecular weight of 343.15 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine is sourced from PubChem (CID 141092576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).