2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine

C18H15FN2O2 — CID 56575506

IUPAC2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine
SMILESCc1ccc(Oc2nccc(Oc3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C18H15FN2O2/c1-12-3-6-16(11-13(12)2)23-18-20-10-9-17(21-18)22-15-7-4-14(19)5-8-15/h3-11H,1-2H3
InChIKeyJRNRKCULLAVIPW-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.82
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine

2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine (PubChem CID 56575506) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine
PubChem CID56575506
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine
SMILESCc1ccc(Oc2nccc(Oc3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C18H15FN2O2/c1-12-3-6-16(11-13(12)2)23-18-20-10-9-17(21-18)22-15-7-4-14(19)5-8-15/h3-11H,1-2H3
InChIKeyJRNRKCULLAVIPW-UHFFFAOYSA-N
XLogP4.82
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine?
The IUPAC name of 2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine (CID 56575506) is 2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine is Cc1ccc(Oc2nccc(Oc3ccc(F)cc3)n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine?
The InChIKey is JRNRKCULLAVIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12-3-6-16(11-13(12)2)23-18-20-10-9-17(21-18)22-15-7-4-14(19)5-8-15/h3-11H,1-2H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine?
2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine has a molecular weight of 310.33 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-4-(4-fluorophenoxy)pyrimidine is sourced from PubChem (CID 56575506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).