2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine

C7H9F3N2 — CID 150567542

IUPAC2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine
SMILESCCC1N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C7H9F3N2/c1-2-6-11-4-3-5(12-6)7(8,9)10/h3-4,6,12H,2H2,1H3
InChIKeyGVMOZZSLTJYWDT-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.84
Rot. Bonds1

About 2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine

2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine (PubChem CID 150567542) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine
PubChem CID150567542
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine
SMILESCCC1N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C7H9F3N2/c1-2-6-11-4-3-5(12-6)7(8,9)10/h3-4,6,12H,2H2,1H3
InChIKeyGVMOZZSLTJYWDT-UHFFFAOYSA-N
XLogP1.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine?
The IUPAC name of 2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine (CID 150567542) is 2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine.
What is the SMILES notation for 2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine?
The canonical SMILES for 2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine is CCC1N=CC=C(C(F)(F)F)N1.
What is the InChIKey of 2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine?
The InChIKey is GVMOZZSLTJYWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-2-6-11-4-3-5(12-6)7(8,9)10/h3-4,6,12H,2H2,1H3.
What are the key properties of 2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine?
2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine has a molecular weight of 178.16 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(trifluoromethyl)-1,2-dihydropyrimidine is sourced from PubChem (CID 150567542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).