4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine

C13H12BrClN2O2 — CID 104707040

IUPAC4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine
SMILESCOc1ccc(Oc2nc(C)nc(Cl)c2C)c(Br)c1
InChIInChI=1S/C13H12BrClN2O2/c1-7-12(15)16-8(2)17-13(7)19-11-5-4-9(18-3)6-10(11)14/h4-6H,1-3H3
InChIKeyVIQPTZKDDMLYKM-UHFFFAOYSA-N
MW343.61 g/mol
LogP4.31
Rot. Bonds3

About 4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine

4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine (PubChem CID 104707040) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine
PubChem CID104707040
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine
SMILESCOc1ccc(Oc2nc(C)nc(Cl)c2C)c(Br)c1
InChIInChI=1S/C13H12BrClN2O2/c1-7-12(15)16-8(2)17-13(7)19-11-5-4-9(18-3)6-10(11)14/h4-6H,1-3H3
InChIKeyVIQPTZKDDMLYKM-UHFFFAOYSA-N
XLogP4.31
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine
CID 104707066
2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline
CID 104707668
4-chloro-6-(2,6-dimethoxyphenoxy)-2,5-dimethylpyrimidine
CID 63736403
4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine
CID 55229856
6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80881304
4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine
CID 63736051
4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107089155
2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
CID 104707648
4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 104707062
[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 104706374
[6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 104708877
4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 104708791

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine?
The IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine (CID 104707040) is 4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine?
The canonical SMILES for 4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine is COc1ccc(Oc2nc(C)nc(Cl)c2C)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine?
The InChIKey is VIQPTZKDDMLYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-7-12(15)16-8(2)17-13(7)19-11-5-4-9(18-3)6-10(11)14/h4-6H,1-3H3.
What are the key properties of 4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine?
4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine has a molecular weight of 343.61 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine is sourced from PubChem (CID 104707040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).