2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine

C13H12Cl2N2O2 — CID 79632151

IUPAC2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine
SMILESCCCOc1ccc(Oc2nc(Cl)ncc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O2/c1-2-7-18-9-3-5-10(6-4-9)19-12-11(14)8-16-13(15)17-12/h3-6,8H,2,7H2,1H3
InChIKeyFODXNJMSJLOURP-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.36
Rot. Bonds5

About 2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine

2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine (PubChem CID 79632151) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine
PubChem CID79632151
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine
SMILESCCCOc1ccc(Oc2nc(Cl)ncc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O2/c1-2-7-18-9-3-5-10(6-4-9)19-12-11(14)8-16-13(15)17-12/h3-6,8H,2,7H2,1H3
InChIKeyFODXNJMSJLOURP-UHFFFAOYSA-N
XLogP4.36
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-4-(4-propylphenoxy)pyrimidine
CID 79632471
2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
CID 58247423
2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
CID 79081907
2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine
CID 79078918
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
2-chloro-5-methyl-4-propoxypyrimidine
CID 79076637
2,5-dichloro-4-pyridin-3-yloxypyrimidine
CID 79632979
5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine
CID 80879754
5-bromo-4-(4-butylphenoxy)-2-chloropyrimidine
CID 113322673
4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine
CID 115492565
2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine
CID 79633379

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine (CID 79632151) is 2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine is CCCOc1ccc(Oc2nc(Cl)ncc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine?
The InChIKey is FODXNJMSJLOURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-2-7-18-9-3-5-10(6-4-9)19-12-11(14)8-16-13(15)17-12/h3-6,8H,2,7H2,1H3.
What are the key properties of 2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine?
2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine has a molecular weight of 299.16 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine is sourced from PubChem (CID 79632151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).