4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine

C14H15ClN2O — CID 80936399

IUPAC4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine
SMILESCCc1nc(Cl)cc(-c2ccc(OC)cc2C)n1
InChIInChI=1S/C14H15ClN2O/c1-4-14-16-12(8-13(15)17-14)11-6-5-10(18-3)7-9(11)2/h5-8H,4H2,1-3H3
InChIKeyIVVWIVFBMJJFML-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.68
Rot. Bonds3

About 4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine

4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine (PubChem CID 80936399) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine
PubChem CID80936399
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine
SMILESCCc1nc(Cl)cc(-c2ccc(OC)cc2C)n1
InChIInChI=1S/C14H15ClN2O/c1-4-14-16-12(8-13(15)17-14)11-6-5-10(18-3)7-9(11)2/h5-8H,4H2,1-3H3
InChIKeyIVVWIVFBMJJFML-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 80939033
2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine
CID 80952600
4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine
CID 80943114
4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine
CID 80936131
4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine
CID 80935506
6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935957
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine
CID 80935640
4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine
CID 80936304
4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80936661
4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one
CID 136955604
2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769346
4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80935852

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine (CID 80936399) is 4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine is CCc1nc(Cl)cc(-c2ccc(OC)cc2C)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine?
The InChIKey is IVVWIVFBMJJFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-4-14-16-12(8-13(15)17-14)11-6-5-10(18-3)7-9(11)2/h5-8H,4H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine?
4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine has a molecular weight of 262.74 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine is sourced from PubChem (CID 80936399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).