4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine

C15H17ClN2O — CID 80973005

IUPAC4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Oc2cc(C)cc(C)c2)n1
InChIInChI=1S/C15H17ClN2O/c1-5-13-17-14(16)11(4)15(18-13)19-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3
InChIKeyKEPJONTYTFFEQQ-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.41
Rot. Bonds3

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

4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine (PubChem CID 80973005) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine
PubChem CID80973005
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(Oc2cc(C)cc(C)c2)n1
InChIInChI=1S/C15H17ClN2O/c1-5-13-17-14(16)11(4)15(18-13)19-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3
InChIKeyKEPJONTYTFFEQQ-UHFFFAOYSA-N
XLogP4.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine
CID 80974213
6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989084
4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine
CID 116792684
4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine
CID 80974212
4-chloro-2-ethyl-5-methyl-6-(4-methyl-2-nitrophenoxy)pyrimidine
CID 80974397
4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine
CID 80972982
[6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001306
4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 81332421
4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine
CID 80973551
2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80988500
4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine
CID 107169178
4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 80973920

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine (CID 80973005) is 4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine is CCc1nc(Cl)c(C)c(Oc2cc(C)cc(C)c2)n1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine?
The InChIKey is KEPJONTYTFFEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-5-13-17-14(16)11(4)15(18-13)19-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3.
What are the key properties of 4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine?
4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine is sourced from PubChem (CID 80973005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).