4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine

C14H15ClN2O2 — CID 80974213

IUPAC4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Oc2cccc(OC)c2)n1
InChIInChI=1S/C14H15ClN2O2/c1-4-12-16-13(15)9(2)14(17-12)19-11-7-5-6-10(8-11)18-3/h5-8H,4H2,1-3H3
InChIKeyDEHGFFMMTQZXHR-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.80
Rot. Bonds4

About 4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine

4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine (PubChem CID 80974213) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine
PubChem CID80974213
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Oc2cccc(OC)c2)n1
InChIInChI=1S/C14H15ClN2O2/c1-4-12-16-13(15)9(2)14(17-12)19-11-7-5-6-10(8-11)18-3/h5-8H,4H2,1-3H3
InChIKeyDEHGFFMMTQZXHR-UHFFFAOYSA-N
XLogP3.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine
CID 80973005
4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80973916
4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 80973920
4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine
CID 80974212
2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80988500
4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine
CID 116792684
4-chloro-2-ethyl-6-(4-methoxyphenyl)-5-methylpyrimidine
CID 80975849
2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80989458
4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine
CID 107169178
2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
CID 80942141
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988288
6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974052

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine (CID 80974213) is 4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine is CCc1nc(Cl)c(C)c(Oc2cccc(OC)c2)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine?
The InChIKey is DEHGFFMMTQZXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-4-12-16-13(15)9(2)14(17-12)19-11-7-5-6-10(8-11)18-3/h5-8H,4H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine?
4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine has a molecular weight of 278.74 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine is sourced from PubChem (CID 80974213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).