4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine

C17H13ClN2O — CID 1487610

IUPAC4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H13ClN2O/c1-12-2-8-15(9-3-12)21-17-19-11-10-16(20-17)13-4-6-14(18)7-5-13/h2-11H,1H3
InChIKeyHCIRGDFJKPBROY-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.90
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine

4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine (PubChem CID 1487610) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine
PubChem CID1487610
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H13ClN2O/c1-12-2-8-15(9-3-12)21-17-19-11-10-16(20-17)13-4-6-14(18)7-5-13/h2-11H,1H3
InChIKeyHCIRGDFJKPBROY-UHFFFAOYSA-N
XLogP4.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine (CID 1487610) is 4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine is Cc1ccc(Oc2nccc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine?
The InChIKey is HCIRGDFJKPBROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-12-2-8-15(9-3-12)21-17-19-11-10-16(20-17)13-4-6-14(18)7-5-13/h2-11H,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine?
4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine has a molecular weight of 296.76 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(4-methylphenoxy)pyrimidine is sourced from PubChem (CID 1487610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).