5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine

C10H11F3N4O — CID 154402255

IUPAC5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine
SMILESCCOc1nc(C(F)(F)F)ncc1N1C=NCC1
InChIInChI=1S/C10H11F3N4O/c1-2-18-8-7(17-4-3-14-6-17)5-15-9(16-8)10(11,12)13/h5-6H,2-4H2,1H3
InChIKeyDYKGBSOPIYQRSK-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.74
Rot. Bonds3

About 5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine

5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine (PubChem CID 154402255) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine
PubChem CID154402255
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine
SMILESCCOc1nc(C(F)(F)F)ncc1N1C=NCC1
InChIInChI=1S/C10H11F3N4O/c1-2-18-8-7(17-4-3-14-6-17)5-15-9(16-8)10(11,12)13/h5-6H,2-4H2,1H3
InChIKeyDYKGBSOPIYQRSK-UHFFFAOYSA-N
XLogP1.74
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine (CID 154402255) is 5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine is CCOc1nc(C(F)(F)F)ncc1N1C=NCC1.
What is the InChIKey of 5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine?
The InChIKey is DYKGBSOPIYQRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-2-18-8-7(17-4-3-14-6-17)5-15-9(16-8)10(11,12)13/h5-6H,2-4H2,1H3.
What are the key properties of 5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine?
5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine has a molecular weight of 260.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydroimidazol-1-yl)-4-ethoxy-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 154402255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).