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

C13H12Cl2N2O — CID 79632471

IUPAC2,5-dichloro-4-(4-propylphenoxy)pyrimidine
SMILESCCCc1ccc(Oc2nc(Cl)ncc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O/c1-2-3-9-4-6-10(7-5-9)18-12-11(14)8-16-13(15)17-12/h4-8H,2-3H2,1H3
InChIKeyUOFRCJNEINWOFO-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.53
Rot. Bonds4

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

2,5-dichloro-4-(4-propylphenoxy)pyrimidine (PubChem CID 79632471) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 2,5-dichloro-4-(4-propylphenoxy)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(4-propylphenoxy)pyrimidine
PubChem CID79632471
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2,5-dichloro-4-(4-propylphenoxy)pyrimidine
SMILESCCCc1ccc(Oc2nc(Cl)ncc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O/c1-2-3-9-4-6-10(7-5-9)18-12-11(14)8-16-13(15)17-12/h4-8H,2-3H2,1H3
InChIKeyUOFRCJNEINWOFO-UHFFFAOYSA-N
XLogP4.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine
CID 80879754
2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine
CID 79632151
2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
CID 58247423
4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine
CID 115492565
5-bromo-4-(4-butylphenoxy)-2-chloropyrimidine
CID 113322673
2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol
CID 107709676
6-chloro-2-(4-propylphenoxy)pyridin-3-amine
CID 115474531
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
[5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol
CID 114920713
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
2,5-dichloro-4-pyridin-3-yloxypyrimidine
CID 79632979
2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
CID 79081907

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(4-propylphenoxy)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(4-propylphenoxy)pyrimidine (CID 79632471) is 2,5-dichloro-4-(4-propylphenoxy)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(4-propylphenoxy)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(4-propylphenoxy)pyrimidine is CCCc1ccc(Oc2nc(Cl)ncc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-4-(4-propylphenoxy)pyrimidine?
The InChIKey is UOFRCJNEINWOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-2-3-9-4-6-10(7-5-9)18-12-11(14)8-16-13(15)17-12/h4-8H,2-3H2,1H3.
What are the key properties of 2,5-dichloro-4-(4-propylphenoxy)pyrimidine?
2,5-dichloro-4-(4-propylphenoxy)pyrimidine has a molecular weight of 283.16 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(4-propylphenoxy)pyrimidine is sourced from PubChem (CID 79632471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).