4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine

C10H12ClF3N2O — CID 103473546

IUPAC4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESCCc1nc(COCC(F)(F)F)nc(Cl)c1C
InChIInChI=1S/C10H12ClF3N2O/c1-3-7-6(2)9(11)16-8(15-7)4-17-5-10(12,13)14/h3-5H2,1-2H3
InChIKeyVKFDEWSKLCZCBZ-UHFFFAOYSA-N
MW268.67 g/mol
LogP3.08
Rot. Bonds4

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

4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (PubChem CID 103473546) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
PubChem CID103473546
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESCCc1nc(COCC(F)(F)F)nc(Cl)c1C
InChIInChI=1S/C10H12ClF3N2O/c1-3-7-6(2)9(11)16-8(15-7)4-17-5-10(12,13)14/h3-5H2,1-2H3
InChIKeyVKFDEWSKLCZCBZ-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (CID 103473546) is 4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is CCc1nc(COCC(F)(F)F)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The InChIKey is VKFDEWSKLCZCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-3-7-6(2)9(11)16-8(15-7)4-17-5-10(12,13)14/h3-5H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine has a molecular weight of 268.67 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is sourced from PubChem (CID 103473546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).