2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine

C18H16N2O — CID 91472605

IUPAC2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine
SMILESCc1ccc(Oc2cccc(-c3ncccn3)c2)c(C)c1
InChIInChI=1S/C18H16N2O/c1-13-7-8-17(14(2)11-13)21-16-6-3-5-15(12-16)18-19-9-4-10-20-18/h3-12H,1-2H3
InChIKeyZZXQQGXPTWZJGK-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.55
Rot. Bonds3

About 2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine

2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine (PubChem CID 91472605) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine
PubChem CID91472605
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine
SMILESCc1ccc(Oc2cccc(-c3ncccn3)c2)c(C)c1
InChIInChI=1S/C18H16N2O/c1-13-7-8-17(14(2)11-13)21-16-6-3-5-15(12-16)18-19-9-4-10-20-18/h3-12H,1-2H3
InChIKeyZZXQQGXPTWZJGK-UHFFFAOYSA-N
XLogP4.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine?
The IUPAC name of 2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine (CID 91472605) is 2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine.
What is the SMILES notation for 2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine?
The canonical SMILES for 2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine is Cc1ccc(Oc2cccc(-c3ncccn3)c2)c(C)c1.
What is the InChIKey of 2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine?
The InChIKey is ZZXQQGXPTWZJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-7-8-17(14(2)11-13)21-16-6-3-5-15(12-16)18-19-9-4-10-20-18/h3-12H,1-2H3.
What are the key properties of 2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine?
2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine has a molecular weight of 276.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethylphenoxy)phenyl]pyrimidine is sourced from PubChem (CID 91472605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).