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

C14H15ClN2O — CID 63736051

IUPAC4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine
SMILESCCc1ccc(Oc2nc(C)nc(Cl)c2C)cc1
InChIInChI=1S/C14H15ClN2O/c1-4-11-5-7-12(8-6-11)18-14-9(2)13(15)16-10(3)17-14/h5-8H,4H2,1-3H3
InChIKeyJTFUNHNTTFFFRO-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.10
Rot. Bonds3

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

4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine (PubChem CID 63736051) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine
PubChem CID63736051
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine
SMILESCCc1ccc(Oc2nc(C)nc(Cl)c2C)cc1
InChIInChI=1S/C14H15ClN2O/c1-4-11-5-7-12(8-6-11)18-14-9(2)13(15)16-10(3)17-14/h5-8H,4H2,1-3H3
InChIKeyJTFUNHNTTFFFRO-UHFFFAOYSA-N
XLogP4.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.10
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-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine
CID 104707040
N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880293
2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine
CID 80989231
4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine
CID 55229856
6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80989080
[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870849
4-chloro-6-(2,6-dimethoxyphenoxy)-2,5-dimethylpyrimidine
CID 63736403
4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine
CID 80973005
2-chloro-5-(4-ethylphenoxy)-3-methylpyridine
CID 82225211
6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 106193534
4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine
CID 80974213

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine (CID 63736051) is 4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine is CCc1ccc(Oc2nc(C)nc(Cl)c2C)cc1.
What is the InChIKey of 4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine?
The InChIKey is JTFUNHNTTFFFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-4-11-5-7-12(8-6-11)18-14-9(2)13(15)16-10(3)17-14/h5-8H,4H2,1-3H3.
What are the key properties of 4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine?
4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine has a molecular weight of 262.74 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine is sourced from PubChem (CID 63736051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).