4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine

C13H11Cl3N2O — CID 80974212

IUPAC4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Oc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H11Cl3N2O/c1-3-11-17-12(16)7(2)13(18-11)19-10-6-8(14)4-5-9(10)15/h4-6H,3H2,1-2H3
InChIKeyVUCOMVWXHQSOFY-UHFFFAOYSA-N
MW317.60 g/mol
LogP5.10
Rot. Bonds3

About 4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine

4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine (PubChem CID 80974212) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine
PubChem CID80974212
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC Name4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Oc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H11Cl3N2O/c1-3-11-17-12(16)7(2)13(18-11)19-10-6-8(14)4-5-9(10)15/h4-6H,3H2,1-2H3
InChIKeyVUCOMVWXHQSOFY-UHFFFAOYSA-N
XLogP5.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.60
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine
CID 80973005
4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine
CID 55229856
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine
CID 80978191
4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine
CID 80974213
4-chloro-2-ethyl-5-methyl-6-(4-methyl-2-nitrophenoxy)pyrimidine
CID 80974397
6-(5-chloro-2-nitrophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80991124
6-(2-bromo-4-chlorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989565
4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine
CID 80972982
4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine
CID 116792684
4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine
CID 80975131
4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine
CID 80974653
3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole
CID 60726221

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine (CID 80974212) is 4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine is CCc1nc(Cl)c(C)c(Oc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine?
The InChIKey is VUCOMVWXHQSOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O/c1-3-11-17-12(16)7(2)13(18-11)19-10-6-8(14)4-5-9(10)15/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine?
4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine has a molecular weight of 317.60 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine is sourced from PubChem (CID 80974212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).