4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine

C11H7ClF2N2O — CID 63735740

IUPAC4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C11H7ClF2N2O/c1-6-10(12)15-5-16-11(6)17-9-3-7(13)2-8(14)4-9/h2-5H,1H3
InChIKeyZZHJPEYSJHKUEG-UHFFFAOYSA-N
MW256.64 g/mol
LogP3.51
Rot. Bonds2

About 4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine

4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine (PubChem CID 63735740) has the molecular formula C11H7ClF2N2O and a molecular weight of 256.64 g/mol. Its IUPAC name is 4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine
PubChem CID63735740
Molecular FormulaC11H7ClF2N2O
Molecular Weight256.64 g/mol
Exact Mass256.02
IUPAC Name4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C11H7ClF2N2O/c1-6-10(12)15-5-16-11(6)17-9-3-7(13)2-8(14)4-9/h2-5H,1H3
InChIKeyZZHJPEYSJHKUEG-UHFFFAOYSA-N
XLogP3.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine
CID 55230242
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-methylpyrimidine;4,6-dichloro-5-methylpyrimidine
CID 157081646
4-(6-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
CID 63734175
4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
CID 63736409
4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 80974330
4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
CID 55229282
4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine
CID 63734721
6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80875265
4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine
CID 63736064
4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
CID 81314867
6-(4-chloro-3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 82719264
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
CID 63734173

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine (CID 63735740) is 4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine is Cc1c(Cl)ncnc1Oc1cc(F)cc(F)c1.
What is the InChIKey of 4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine?
The InChIKey is ZZHJPEYSJHKUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O/c1-6-10(12)15-5-16-11(6)17-9-3-7(13)2-8(14)4-9/h2-5H,1H3.
What are the key properties of 4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine?
4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine has a molecular weight of 256.64 g/mol, XLogP of 3.51, 2 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-difluorophenoxy)-5-methylpyrimidine is sourced from PubChem (CID 63735740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).