5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine

C11H7Br3N2O2 — CID 106999331

IUPAC5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
SMILESCOc1nc(Oc2ccc(Br)cc2Br)ncc1Br
InChIInChI=1S/C11H7Br3N2O2/c1-17-10-8(14)5-15-11(16-10)18-9-3-2-6(12)4-7(9)13/h2-5H,1H3
InChIKeyFHDQHLPAOYARKH-UHFFFAOYSA-N
MW438.90 g/mol
LogP4.57
Rot. Bonds3

About 5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine

5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine (PubChem CID 106999331) has the molecular formula C11H7Br3N2O2 and a molecular weight of 438.90 g/mol. Its IUPAC name is 5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
PubChem CID106999331
Molecular FormulaC11H7Br3N2O2
Molecular Weight438.90 g/mol
Exact Mass435.81
IUPAC Name5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
SMILESCOc1nc(Oc2ccc(Br)cc2Br)ncc1Br
InChIInChI=1S/C11H7Br3N2O2/c1-17-10-8(14)5-15-11(16-10)18-9-3-2-6(12)4-7(9)13/h2-5H,1H3
InChIKeyFHDQHLPAOYARKH-UHFFFAOYSA-N
XLogP4.57
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.90
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
CID 106999555
5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
CID 106999317
2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline
CID 106997967
3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-methylaniline
CID 106997973
2-chloro-4-(2,4-dibromophenoxy)-6-methoxy-1,3,5-triazine
CID 64718654
4-(5-bromo-4-methoxypyrimidin-2-yl)oxy-3-prop-2-enylaniline
CID 106997993
2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine
CID 106997994
[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine
CID 106999554
5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine
CID 106999263
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
CID 64721323
2-chloro-3-(2,4-dibromophenoxy)pyrazine
CID 64719536
1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine
CID 106998413

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine?
The IUPAC name of 5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine (CID 106999331) is 5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine is COc1nc(Oc2ccc(Br)cc2Br)ncc1Br.
What is the InChIKey of 5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine?
The InChIKey is FHDQHLPAOYARKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br3N2O2/c1-17-10-8(14)5-15-11(16-10)18-9-3-2-6(12)4-7(9)13/h2-5H,1H3.
What are the key properties of 5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine?
5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine has a molecular weight of 438.90 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine is sourced from PubChem (CID 106999331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).