5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C8H10F3N3O2 — CID 63799930

IUPAC5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CC(F)(F)F)c1=O
InChIInChI=1S/C8H10F3N3O2/c1-2-13-3-5(12)6(15)14(7(13)16)4-8(9,10)11/h3H,2,4,12H2,1H3
InChIKeyUCWICIIKBNGDJQ-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.17
Rot. Bonds2

About 5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 63799930) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID63799930
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CC(F)(F)F)c1=O
InChIInChI=1S/C8H10F3N3O2/c1-2-13-3-5(12)6(15)14(7(13)16)4-8(9,10)11/h3H,2,4,12H2,1H3
InChIKeyUCWICIIKBNGDJQ-UHFFFAOYSA-N
XLogP0.17
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 63799930) is 5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is CCn1cc(N)c(=O)n(CC(F)(F)F)c1=O.
What is the InChIKey of 5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is UCWICIIKBNGDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-2-13-3-5(12)6(15)14(7(13)16)4-8(9,10)11/h3H,2,4,12H2,1H3.
What are the key properties of 5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 237.18 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63799930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).