4-chloro-6-(2,4-dimethylphenoxy)pyrimidine

C12H11ClN2O — CID 60726049

IUPAC4-chloro-6-(2,4-dimethylphenoxy)pyrimidine
SMILESCc1ccc(Oc2cc(Cl)ncn2)c(C)c1
InChIInChI=1S/C12H11ClN2O/c1-8-3-4-10(9(2)5-8)16-12-6-11(13)14-7-15-12/h3-7H,1-2H3
InChIKeySHKXTPOZBQJHRO-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.54
Rot. Bonds2

About 4-chloro-6-(2,4-dimethylphenoxy)pyrimidine

4-chloro-6-(2,4-dimethylphenoxy)pyrimidine (PubChem CID 60726049) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dimethylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dimethylphenoxy)pyrimidine
PubChem CID60726049
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-chloro-6-(2,4-dimethylphenoxy)pyrimidine
SMILESCc1ccc(Oc2cc(Cl)ncn2)c(C)c1
InChIInChI=1S/C12H11ClN2O/c1-8-3-4-10(9(2)5-8)16-12-6-11(13)14-7-15-12/h3-7H,1-2H3
InChIKeySHKXTPOZBQJHRO-UHFFFAOYSA-N
XLogP3.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,5-dimethylphenoxy)pyrimidine
CID 60706529
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine
CID 60706705
6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80862829
4-chloro-6-(3,5-dimethylphenoxy)pyrimidine
CID 22425300
3-(6-chloropyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107657769
4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
CID 63736592
4-chloro-5-(chloromethyl)-6-(2,4-dimethylphenoxy)pyrimidine
CID 107086680
4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine
CID 107723121
5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole
CID 122521128
2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile
CID 24690877
4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 61277340
6-(2-bromo-4-methylphenoxy)-N-methylpyrimidin-4-amine
CID 80860088

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dimethylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(2,4-dimethylphenoxy)pyrimidine (CID 60726049) is 4-chloro-6-(2,4-dimethylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2,4-dimethylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(2,4-dimethylphenoxy)pyrimidine is Cc1ccc(Oc2cc(Cl)ncn2)c(C)c1.
What is the InChIKey of 4-chloro-6-(2,4-dimethylphenoxy)pyrimidine?
The InChIKey is SHKXTPOZBQJHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-3-4-10(9(2)5-8)16-12-6-11(13)14-7-15-12/h3-7H,1-2H3.
What are the key properties of 4-chloro-6-(2,4-dimethylphenoxy)pyrimidine?
4-chloro-6-(2,4-dimethylphenoxy)pyrimidine has a molecular weight of 234.69 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dimethylphenoxy)pyrimidine is sourced from PubChem (CID 60726049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).