4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine

C13H12ClFN2O — CID 63734173

IUPAC4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1Oc1ccc(F)cc1
InChIInChI=1S/C13H12ClFN2O/c1-8(2)11-12(14)16-7-17-13(11)18-10-5-3-9(15)4-6-10/h3-8H,1-2H3
InChIKeyNNGAZWIYTNXWOI-UHFFFAOYSA-N
MW266.70 g/mol
LogP4.18
Rot. Bonds3

About 4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine

4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine (PubChem CID 63734173) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
PubChem CID63734173
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1Oc1ccc(F)cc1
InChIInChI=1S/C13H12ClFN2O/c1-8(2)11-12(14)16-7-17-13(11)18-10-5-3-9(15)4-6-10/h3-8H,1-2H3
InChIKeyNNGAZWIYTNXWOI-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 83232893
4-(4-butylphenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 115492542
4-chloro-6-(3-fluoro-4-nitrophenoxy)-5-propan-2-ylpyrimidine
CID 63734023
4-chloro-6-(3-methylphenoxy)-5-propan-2-ylpyrimidine
CID 63736411
6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80865732
4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine
CID 63736223
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine
CID 55229855
4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine
CID 63735708
4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
CID 63736592
5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline
CID 103044674
6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876057

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine (CID 63734173) is 4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)ncnc1Oc1ccc(F)cc1.
What is the InChIKey of 4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine?
The InChIKey is NNGAZWIYTNXWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8(2)11-12(14)16-7-17-13(11)18-10-5-3-9(15)4-6-10/h3-8H,1-2H3.
What are the key properties of 4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine?
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine has a molecular weight of 266.70 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 63734173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).