4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine

C13H9Cl2F3N2O — CID 63613153

IUPAC4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine
SMILESCCc1c(Cl)nc(-c2ccccc2OC(F)(F)F)nc1Cl
InChIInChI=1S/C13H9Cl2F3N2O/c1-2-7-10(14)19-12(20-11(7)15)8-5-3-4-6-9(8)21-13(16,17)18/h3-6H,2H2,1H3
InChIKeyVOPCHXDNHMWOCN-UHFFFAOYSA-N
MW337.13 g/mol
LogP4.91
Rot. Bonds3

About 4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine

4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine (PubChem CID 63613153) has the molecular formula C13H9Cl2F3N2O and a molecular weight of 337.13 g/mol. Its IUPAC name is 4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine
PubChem CID63613153
Molecular FormulaC13H9Cl2F3N2O
Molecular Weight337.13 g/mol
Exact Mass336.00
IUPAC Name4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine
SMILESCCc1c(Cl)nc(-c2ccccc2OC(F)(F)F)nc1Cl
InChIInChI=1S/C13H9Cl2F3N2O/c1-2-7-10(14)19-12(20-11(7)15)8-5-3-4-6-9(8)21-13(16,17)18/h3-6H,2H2,1H3
InChIKeyVOPCHXDNHMWOCN-UHFFFAOYSA-N
XLogP4.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine?
The IUPAC name of 4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine (CID 63613153) is 4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine is CCc1c(Cl)nc(-c2ccccc2OC(F)(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine?
The InChIKey is VOPCHXDNHMWOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2O/c1-2-7-10(14)19-12(20-11(7)15)8-5-3-4-6-9(8)21-13(16,17)18/h3-6H,2H2,1H3.
What are the key properties of 4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine?
4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine has a molecular weight of 337.13 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-ethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine is sourced from PubChem (CID 63613153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).