4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine

C13H11Cl3N2O — CID 55229855

IUPAC4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl3N2O/c1-7(2)11-12(16)17-6-18-13(11)19-10-5-8(14)3-4-9(10)15/h3-7H,1-2H3
InChIKeyZOTBEGMUUZXOIQ-UHFFFAOYSA-N
MW317.60 g/mol
LogP5.35
Rot. Bonds3

About 4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine

4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine (PubChem CID 55229855) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine
PubChem CID55229855
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC Name4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl3N2O/c1-7(2)11-12(16)17-6-18-13(11)19-10-5-8(14)3-4-9(10)15/h3-7H,1-2H3
InChIKeyZOTBEGMUUZXOIQ-UHFFFAOYSA-N
XLogP5.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.60
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine 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-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
CID 63736592
4-chloro-6-(2,5-dichlorophenoxy)-5-propylpyrimidine
CID 63735881
4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 83232893
4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine
CID 63736223
4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine
CID 63736070
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
CID 63734173
4-chloro-6-(3-methylphenoxy)-5-propan-2-ylpyrimidine
CID 63736411
4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine
CID 63735708
[6-(2-chloro-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114264432
[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924618
5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline
CID 103044674
4-chloro-6-(3-fluoro-4-nitrophenoxy)-5-propan-2-ylpyrimidine
CID 63734023

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine (CID 55229855) is 4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)ncnc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine?
The InChIKey is ZOTBEGMUUZXOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O/c1-7(2)11-12(16)17-6-18-13(11)19-10-5-8(14)3-4-9(10)15/h3-7H,1-2H3.
What are the key properties of 4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine?
4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine has a molecular weight of 317.60 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 55229855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).