4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine

C13H11Cl2FN2O — CID 80939586

IUPAC4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H11Cl2FN2O/c1-2-3-12-17-11(15)7-13(18-12)19-10-5-4-8(16)6-9(10)14/h4-7H,2-3H2,1H3
InChIKeyPFLQQXPNPWQNKW-UHFFFAOYSA-N
MW301.15 g/mol
LogP4.67
Rot. Bonds4

About 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine

4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine (PubChem CID 80939586) has the molecular formula C13H11Cl2FN2O and a molecular weight of 301.15 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine
PubChem CID80939586
Molecular FormulaC13H11Cl2FN2O
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H11Cl2FN2O/c1-2-3-12-17-11(15)7-13(18-12)19-10-5-4-8(16)6-9(10)14/h4-7H,2-3H2,1H3
InChIKeyPFLQQXPNPWQNKW-UHFFFAOYSA-N
XLogP4.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine
CID 80940071
4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine
CID 107657898
4-chloro-6-(2-fluoro-5-methylphenoxy)-2-propylpyrimidine
CID 80940227
4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine
CID 80939932
6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988993
4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine
CID 80938340
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766656
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
CID 80950356
8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
CID 80938307
[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985
6-(4-bromo-2-chlorophenoxy)-2-propylpyrimidin-4-amine
CID 80949627
6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine
CID 80949844

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine (CID 80939586) is 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine is CCCc1nc(Cl)cc(Oc2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine?
The InChIKey is PFLQQXPNPWQNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O/c1-2-3-12-17-11(15)7-13(18-12)19-10-5-4-8(16)6-9(10)14/h4-7H,2-3H2,1H3.
What are the key properties of 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine?
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine has a molecular weight of 301.15 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine is sourced from PubChem (CID 80939586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).