4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine

C6H3Cl2F3N2O — CID 151083653

IUPAC4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine
SMILESCc1nc(Cl)c(OC(F)(F)F)c(Cl)n1
InChIInChI=1S/C6H3Cl2F3N2O/c1-2-12-4(7)3(5(8)13-2)14-6(9,10)11/h1H3
InChIKeyMKQQZOJPYRVBLX-UHFFFAOYSA-N
MW247.00 g/mol
LogP2.99
Rot. Bonds1

About 4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine

4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine (PubChem CID 151083653) has the molecular formula C6H3Cl2F3N2O and a molecular weight of 247.00 g/mol. Its IUPAC name is 4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine
PubChem CID151083653
Molecular FormulaC6H3Cl2F3N2O
Molecular Weight247.00 g/mol
Exact Mass245.96
IUPAC Name4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine
SMILESCc1nc(Cl)c(OC(F)(F)F)c(Cl)n1
InChIInChI=1S/C6H3Cl2F3N2O/c1-2-12-4(7)3(5(8)13-2)14-6(9,10)11/h1H3
InChIKeyMKQQZOJPYRVBLX-UHFFFAOYSA-N
XLogP2.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.00
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine?
The IUPAC name of 4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine (CID 151083653) is 4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine is Cc1nc(Cl)c(OC(F)(F)F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine?
The InChIKey is MKQQZOJPYRVBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F3N2O/c1-2-12-4(7)3(5(8)13-2)14-6(9,10)11/h1H3.
What are the key properties of 4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine?
4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine has a molecular weight of 247.00 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methyl-5-(trifluoromethoxy)pyrimidine is sourced from PubChem (CID 151083653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).