4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine

C13H12ClFN2O — CID 64854239

IUPAC4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine
SMILESCCc1c(Cl)ncnc1Oc1cc(C)ccc1F
InChIInChI=1S/C13H12ClFN2O/c1-3-9-12(14)16-7-17-13(9)18-11-6-8(2)4-5-10(11)15/h4-7H,3H2,1-2H3
InChIKeyUUANWTCFFPEXIT-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.93
Rot. Bonds3

About 4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine

4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine (PubChem CID 64854239) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine
PubChem CID64854239
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine
SMILESCCc1c(Cl)ncnc1Oc1cc(C)ccc1F
InChIInChI=1S/C13H12ClFN2O/c1-3-9-12(14)16-7-17-13(9)18-11-6-8(2)4-5-10(11)15/h4-7H,3H2,1-2H3
InChIKeyUUANWTCFFPEXIT-UHFFFAOYSA-N
XLogP3.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-Dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
4,6-Dichloro-5-(4-methoxybenzyl)pyrimidine
CID 578730
Pyrimidine, 4-chloro-6-(4-chlorophenoxy)-
CID 3079025
2-Amino-4-(p-ethylphenoxy)-6-chloropyrimidine
CID 815741
5-(4-Chlorophenyl)-2-(3-methylphenoxy)pyrimidine
CID 1472454
4-Chloro-6-(4-propyl-phenoxy)-pyrimidin-2-ylamine
CID 702419
4-Chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine
CID 11230678
4-Chloro-6-phenoxypyrimidine
CID 11593677
2-Chloro-5-methyl-4-phenoxypyrimidine
CID 59868882
4-Chloro-6-(4-fluorophenoxy)pyrimidine
CID 3469285
2-Chloro-4-benzyloxy-5-fluoropyrimidine
CID 12864088
4-(Benzyloxy)-6-chloropyrimidine
CID 22599871

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine (CID 64854239) is 4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine is CCc1c(Cl)ncnc1Oc1cc(C)ccc1F.
What is the InChIKey of 4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine?
The InChIKey is UUANWTCFFPEXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-3-9-12(14)16-7-17-13(9)18-11-6-8(2)4-5-10(11)15/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine?
4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine has a molecular weight of 266.70 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-(2-fluoro-5-methylphenoxy)pyrimidine is sourced from PubChem (CID 64854239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).