5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine

C11H7BrF2N2O2 — CID 106999263

IUPAC5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine
SMILESCOc1nc(Oc2ccc(F)c(F)c2)ncc1Br
InChIInChI=1S/C11H7BrF2N2O2/c1-17-10-7(12)5-15-11(16-10)18-6-2-3-8(13)9(14)4-6/h2-5H,1H3
InChIKeyHDEAGZRSLSZTOM-UHFFFAOYSA-N
MW317.09 g/mol
LogP3.32
Rot. Bonds3

About 5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine

5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine (PubChem CID 106999263) has the molecular formula C11H7BrF2N2O2 and a molecular weight of 317.09 g/mol. Its IUPAC name is 5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine
PubChem CID106999263
Molecular FormulaC11H7BrF2N2O2
Molecular Weight317.09 g/mol
Exact Mass315.97
IUPAC Name5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine
SMILESCOc1nc(Oc2ccc(F)c(F)c2)ncc1Br
InChIInChI=1S/C11H7BrF2N2O2/c1-17-10-7(12)5-15-11(16-10)18-6-2-3-8(13)9(14)4-6/h2-5H,1H3
InChIKeyHDEAGZRSLSZTOM-UHFFFAOYSA-N
XLogP3.32
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.09
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
CID 106999196
5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 106999154
methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate
CID 106999530
3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline
CID 107387714
5-bromo-2-(3-chloro-4-nitrophenoxy)-4-methoxypyrimidine
CID 106999309
2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline
CID 106997967
5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
CID 106999331
3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine
CID 105368266
2-(3-bromo-4-fluorophenoxy)quinazoline
CID 114788785
2-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 82234847
2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine
CID 104844305
[2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol
CID 113387914

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine?
The IUPAC name of 5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine (CID 106999263) is 5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine is COc1nc(Oc2ccc(F)c(F)c2)ncc1Br.
What is the InChIKey of 5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine?
The InChIKey is HDEAGZRSLSZTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O2/c1-17-10-7(12)5-15-11(16-10)18-6-2-3-8(13)9(14)4-6/h2-5H,1H3.
What are the key properties of 5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine?
5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine has a molecular weight of 317.09 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine is sourced from PubChem (CID 106999263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).