4-(4-tert-butylphenoxy)-2-chloropyrimidine

C14H15ClN2O — CID 55065851

IUPAC4-(4-tert-butylphenoxy)-2-chloropyrimidine
SMILESCC(C)(C)c1ccc(Oc2ccnc(Cl)n2)cc1
InChIInChI=1S/C14H15ClN2O/c1-14(2,3)10-4-6-11(7-5-10)18-12-8-9-16-13(15)17-12/h4-9H,1-3H3
InChIKeyHROITXQCHDKXEI-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.22
Rot. Bonds2

About 4-(4-tert-butylphenoxy)-2-chloropyrimidine

4-(4-tert-butylphenoxy)-2-chloropyrimidine (PubChem CID 55065851) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-2-chloropyrimidine.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-2-chloropyrimidine
PubChem CID55065851
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-(4-tert-butylphenoxy)-2-chloropyrimidine
SMILESCC(C)(C)c1ccc(Oc2ccnc(Cl)n2)cc1
InChIInChI=1S/C14H15ClN2O/c1-14(2,3)10-4-6-11(7-5-10)18-12-8-9-16-13(15)17-12/h4-9H,1-3H3
InChIKeyHROITXQCHDKXEI-UHFFFAOYSA-N
XLogP4.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-tert-butylphenoxy)-2-chloropyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-2-chloropyrimidine?
The IUPAC name of 4-(4-tert-butylphenoxy)-2-chloropyrimidine (CID 55065851) is 4-(4-tert-butylphenoxy)-2-chloropyrimidine.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-2-chloropyrimidine?
The canonical SMILES for 4-(4-tert-butylphenoxy)-2-chloropyrimidine is CC(C)(C)c1ccc(Oc2ccnc(Cl)n2)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-2-chloropyrimidine?
The InChIKey is HROITXQCHDKXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-14(2,3)10-4-6-11(7-5-10)18-12-8-9-16-13(15)17-12/h4-9H,1-3H3.
What are the key properties of 4-(4-tert-butylphenoxy)-2-chloropyrimidine?
4-(4-tert-butylphenoxy)-2-chloropyrimidine has a molecular weight of 262.74 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-2-chloropyrimidine is sourced from PubChem (CID 55065851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).