4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine

C12H7Cl2F3N2O2 — CID 18184264

IUPAC4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine
SMILESCOc1ccccc1Oc1c(Cl)nc(C(F)(F)F)nc1Cl
InChIInChI=1S/C12H7Cl2F3N2O2/c1-20-6-4-2-3-5-7(6)21-8-9(13)18-11(12(15,16)17)19-10(8)14/h2-5H,1H3
InChIKeyHQUXULQWCSCZSC-UHFFFAOYSA-N
MW339.10 g/mol
LogP4.60
Rot. Bonds3

About 4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine

4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine (PubChem CID 18184264) has the molecular formula C12H7Cl2F3N2O2 and a molecular weight of 339.10 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine
PubChem CID18184264
Molecular FormulaC12H7Cl2F3N2O2
Molecular Weight339.10 g/mol
Exact Mass337.98
IUPAC Name4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine
SMILESCOc1ccccc1Oc1c(Cl)nc(C(F)(F)F)nc1Cl
InChIInChI=1S/C12H7Cl2F3N2O2/c1-20-6-4-2-3-5-7(6)21-8-9(13)18-11(12(15,16)17)19-10(8)14/h2-5H,1H3
InChIKeyHQUXULQWCSCZSC-UHFFFAOYSA-N
XLogP4.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine (CID 18184264) is 4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine is COc1ccccc1Oc1c(Cl)nc(C(F)(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine?
The InChIKey is HQUXULQWCSCZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O2/c1-20-6-4-2-3-5-7(6)21-8-9(13)18-11(12(15,16)17)19-10(8)14/h2-5H,1H3.
What are the key properties of 4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine?
4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine has a molecular weight of 339.10 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 18184264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).