4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine

C13H12ClFN2O — CID 63734172

IUPAC4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Oc1ccc(F)cc1
InChIInChI=1S/C13H12ClFN2O/c1-2-3-11-12(14)16-8-17-13(11)18-10-6-4-9(15)5-7-10/h4-8H,2-3H2,1H3
InChIKeyAZMZVZGNEYWVQR-UHFFFAOYSA-N
MW266.70 g/mol
LogP4.01
Rot. Bonds4

About 4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine

4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine (PubChem CID 63734172) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
PubChem CID63734172
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Oc1ccc(F)cc1
InChIInChI=1S/C13H12ClFN2O/c1-2-3-11-12(14)16-8-17-13(11)18-10-6-4-9(15)5-7-10/h4-8H,2-3H2,1H3
InChIKeyAZMZVZGNEYWVQR-UHFFFAOYSA-N
XLogP4.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
CID 63734858
4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine
CID 63734722
4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine
CID 107723178
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
CID 63734173
4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine
CID 63735554
4-chloro-6-(2,5-dichlorophenoxy)-5-propylpyrimidine
CID 63735881
4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine
CID 63734002
6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80863976
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664674

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine (CID 63734172) is 4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine is CCCc1c(Cl)ncnc1Oc1ccc(F)cc1.
What is the InChIKey of 4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine?
The InChIKey is AZMZVZGNEYWVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-2-3-11-12(14)16-8-17-13(11)18-10-6-4-9(15)5-7-10/h4-8H,2-3H2,1H3.
What are the key properties of 4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine?
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine has a molecular weight of 266.70 g/mol, XLogP of 4.01, 4 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-propylpyrimidine is sourced from PubChem (CID 63734172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).