4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine

C13H10ClF3N2O — CID 106766697

IUPAC4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine
SMILESCc1ccc(Oc2cc(Cl)nc(C(F)(F)F)n2)cc1C
InChIInChI=1S/C13H10ClF3N2O/c1-7-3-4-9(5-8(7)2)20-11-6-10(14)18-12(19-11)13(15,16)17/h3-6H,1-2H3
InChIKeyPPYNNUFTOMUYDE-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.56
Rot. Bonds2

About 4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine (PubChem CID 106766697) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine
PubChem CID106766697
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine
SMILESCc1ccc(Oc2cc(Cl)nc(C(F)(F)F)n2)cc1C
InChIInChI=1S/C13H10ClF3N2O/c1-7-3-4-9(5-8(7)2)20-11-6-10(14)18-12(19-11)13(15,16)17/h3-6H,1-2H3
InChIKeyPPYNNUFTOMUYDE-UHFFFAOYSA-N
XLogP4.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine (CID 106766697) is 4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine is Cc1ccc(Oc2cc(Cl)nc(C(F)(F)F)n2)cc1C.
What is the InChIKey of 4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine?
The InChIKey is PPYNNUFTOMUYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c1-7-3-4-9(5-8(7)2)20-11-6-10(14)18-12(19-11)13(15,16)17/h3-6H,1-2H3.
What are the key properties of 4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine has a molecular weight of 302.68 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).