4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine

C11H7Cl3N2O — CID 55230242

IUPAC4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H7Cl3N2O/c1-6-10(14)15-5-16-11(6)17-7-2-3-8(12)9(13)4-7/h2-5H,1H3
InChIKeyBHUWTCSESBIVLE-UHFFFAOYSA-N
MW289.55 g/mol
LogP4.54
Rot. Bonds2

About 4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine

4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine (PubChem CID 55230242) has the molecular formula C11H7Cl3N2O and a molecular weight of 289.55 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine
PubChem CID55230242
Molecular FormulaC11H7Cl3N2O
Molecular Weight289.55 g/mol
Exact Mass287.96
IUPAC Name4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H7Cl3N2O/c1-6-10(14)15-5-16-11(6)17-7-2-3-8(12)9(13)4-7/h2-5H,1H3
InChIKeyBHUWTCSESBIVLE-UHFFFAOYSA-N
XLogP4.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
CID 63734175
4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
CID 63736409
4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
CID 107087892
4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 63735740
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-methylpyrimidine;4,6-dichloro-5-methylpyrimidine
CID 157081646
4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
CID 55229282
6-(4-chloro-3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 82719264
6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 82717800
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
CID 60726316
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine
CID 63736064
4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline
CID 158193034

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine (CID 55230242) is 4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine is Cc1c(Cl)ncnc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine?
The InChIKey is BHUWTCSESBIVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O/c1-6-10(14)15-5-16-11(6)17-7-2-3-8(12)9(13)4-7/h2-5H,1H3.
What are the key properties of 4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine?
4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine has a molecular weight of 289.55 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine is sourced from PubChem (CID 55230242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).