2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine

C13H10ClF3N2O — CID 139809027

IUPAC2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H10ClF3N2O/c1-8-6-11(13(15,16)17)19-12(18-8)20-7-9-2-4-10(14)5-3-9/h2-6H,7H2,1H3
InChIKeyOHOIUBOVZBOIQI-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.04
Rot. Bonds3

About 2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine

2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 139809027) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID139809027
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H10ClF3N2O/c1-8-6-11(13(15,16)17)19-12(18-8)20-7-9-2-4-10(14)5-3-9/h2-6H,7H2,1H3
InChIKeyOHOIUBOVZBOIQI-UHFFFAOYSA-N
XLogP4.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine (CID 139809027) is 2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nc(OCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is OHOIUBOVZBOIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c1-8-6-11(13(15,16)17)19-12(18-8)20-7-9-2-4-10(14)5-3-9/h2-6H,7H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine?
2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 302.68 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-4-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 139809027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).