4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine

C13H12ClFN2O — CID 64856168

IUPAC4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine
SMILESCc1ccc(F)c(Oc2nc(C)nc(Cl)c2C)c1
InChIInChI=1S/C13H12ClFN2O/c1-7-4-5-10(15)11(6-7)18-13-8(2)12(14)16-9(3)17-13/h4-6H,1-3H3
InChIKeyHWTGRTMYOYFHER-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.99
Rot. Bonds2

About 4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine

4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine (PubChem CID 64856168) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine
PubChem CID64856168
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine
SMILESCc1ccc(F)c(Oc2nc(C)nc(Cl)c2C)c1
InChIInChI=1S/C13H12ClFN2O/c1-7-4-5-10(15)11(6-7)18-13-8(2)12(14)16-9(3)17-13/h4-6H,1-3H3
InChIKeyHWTGRTMYOYFHER-UHFFFAOYSA-N
XLogP3.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.99
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-Chloro-6-(2-fluorophenoxy)pyrimidin-2-amine
CID 683987
2-Amino-4-(p-ethylphenoxy)-6-chloropyrimidine
CID 815741
4-(2-Allylphenoxy)-6-fluoro-2-pyrimidinamine
CID 741056
4,6-Dimethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 4564336
4-Chloro-6-(4-propyl-phenoxy)-pyrimidin-2-ylamine
CID 702419
4-(4-Ethylphenoxy)-6-fluoropyrimidin-2-amine
CID 748211
4-Chloro-6-phenoxypyrimidin-2-amine
CID 753797
4-Chloro-6-(4-fluorophenoxy)pyrimidine
CID 3469285
4,6-Dichloro-2-(2-methoxyphenyl)pyrimidine
CID 53440048
4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 13413744
4-chloro-6-[(1R)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phenyl]ethoxy]pyrimidin-2-amine
CID 57688464

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine (CID 64856168) is 4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine is Cc1ccc(F)c(Oc2nc(C)nc(Cl)c2C)c1.
What is the InChIKey of 4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine?
The InChIKey is HWTGRTMYOYFHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-7-4-5-10(15)11(6-7)18-13-8(2)12(14)16-9(3)17-13/h4-6H,1-3H3.
What are the key properties of 4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine?
4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine has a molecular weight of 266.70 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluoro-5-methylphenoxy)-2,5-dimethylpyrimidine is sourced from PubChem (CID 64856168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).