5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine

C12H10BrClN2O2 — CID 106999317

IUPAC5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
SMILESCOc1nc(Oc2ccc(C)cc2Cl)ncc1Br
InChIInChI=1S/C12H10BrClN2O2/c1-7-3-4-10(9(14)5-7)18-12-15-6-8(13)11(16-12)17-2/h3-6H,1-2H3
InChIKeyQQRNDOBLVAOOPE-UHFFFAOYSA-N
MW329.58 g/mol
LogP4.00
Rot. Bonds3

About 5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine

5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine (PubChem CID 106999317) has the molecular formula C12H10BrClN2O2 and a molecular weight of 329.58 g/mol. Its IUPAC name is 5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
PubChem CID106999317
Molecular FormulaC12H10BrClN2O2
Molecular Weight329.58 g/mol
Exact Mass327.96
IUPAC Name5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
SMILESCOc1nc(Oc2ccc(C)cc2Cl)ncc1Br
InChIInChI=1S/C12H10BrClN2O2/c1-7-3-4-10(9(14)5-7)18-12-15-6-8(13)11(16-12)17-2/h3-6H,1-2H3
InChIKeyQQRNDOBLVAOOPE-UHFFFAOYSA-N
XLogP4.00
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
CID 106999331
5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
CID 103583695
2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline
CID 106997967
[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
CID 106999555
3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-methylaniline
CID 106997973
5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998597
[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine
CID 106999554
5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine
CID 107501354
5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
CID 106999196
4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80878620
4-(5-bromo-4-methoxypyrimidin-2-yl)oxy-3-prop-2-enylaniline
CID 106997993
5-bromo-2-(3-chloro-4-nitrophenoxy)-4-methoxypyrimidine
CID 106999309

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine?
The IUPAC name of 5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine (CID 106999317) is 5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine is COc1nc(Oc2ccc(C)cc2Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine?
The InChIKey is QQRNDOBLVAOOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2/c1-7-3-4-10(9(14)5-7)18-12-15-6-8(13)11(16-12)17-2/h3-6H,1-2H3.
What are the key properties of 5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine?
5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine has a molecular weight of 329.58 g/mol, XLogP of 4.00, 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-chloro-4-methylphenoxy)-4-methoxypyrimidine is sourced from PubChem (CID 106999317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).