4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine

C13H12Cl2N2O — CID 55229856

IUPAC4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine
SMILESCc1ccc(Cl)c(Oc2nc(C)nc(Cl)c2C)c1
InChIInChI=1S/C13H12Cl2N2O/c1-7-4-5-10(14)11(6-7)18-13-8(2)12(15)16-9(3)17-13/h4-6H,1-3H3
InChIKeyLXPPJFDWHPXPJF-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.50
Rot. Bonds2

About 4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine

4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine (PubChem CID 55229856) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine
PubChem CID55229856
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine
SMILESCc1ccc(Cl)c(Oc2nc(C)nc(Cl)c2C)c1
InChIInChI=1S/C13H12Cl2N2O/c1-7-4-5-10(14)11(6-7)18-13-8(2)12(15)16-9(3)17-13/h4-6H,1-3H3
InChIKeyLXPPJFDWHPXPJF-UHFFFAOYSA-N
XLogP4.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine
CID 82716251
4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine
CID 80974212
3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole
CID 60726066
4-chloro-6-(2,6-dimethoxyphenoxy)-2,5-dimethylpyrimidine
CID 63736403
4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine
CID 104707040
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine
CID 60726041
5-chloro-6-(2-chloro-5-methylphenoxy)pyridin-3-amine
CID 114046386
[1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine
CID 62322930
2-(2-chloro-5-methylphenoxy)aniline
CID 26189098
4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine
CID 63736051
6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 55183255
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine (CID 55229856) is 4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine is Cc1ccc(Cl)c(Oc2nc(C)nc(Cl)c2C)c1.
What is the InChIKey of 4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine?
The InChIKey is LXPPJFDWHPXPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-7-4-5-10(14)11(6-7)18-13-8(2)12(15)16-9(3)17-13/h4-6H,1-3H3.
What are the key properties of 4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine?
4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine has a molecular weight of 283.16 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine is sourced from PubChem (CID 55229856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).