4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine

C7H6ClF3N2O — CID 63735179

IUPAC4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCc1c(Cl)ncnc1OCC(F)(F)F
InChIInChI=1S/C7H6ClF3N2O/c1-4-5(8)12-3-13-6(4)14-2-7(9,10)11/h3H,2H2,1H3
InChIKeyHQIDHXZYAKCKTN-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.38
Rot. Bonds2

About 4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine

4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 63735179) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.58 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID63735179
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.58 g/mol
Exact Mass226.01
IUPAC Name4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCc1c(Cl)ncnc1OCC(F)(F)F
InChIInChI=1S/C7H6ClF3N2O/c1-4-5(8)12-3-13-6(4)14-2-7(9,10)11/h3H,2H2,1H3
InChIKeyHQIDHXZYAKCKTN-UHFFFAOYSA-N
XLogP2.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine (CID 63735179) is 4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine is Cc1c(Cl)ncnc1OCC(F)(F)F.
What is the InChIKey of 4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is HQIDHXZYAKCKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O/c1-4-5(8)12-3-13-6(4)14-2-7(9,10)11/h3H,2H2,1H3.
What are the key properties of 4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 226.58 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 63735179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).