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

C10H14F3N3O2 — CID 115513896

IUPAC5-amino-1-ethyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CCCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O2/c1-2-15-6-7(14)8(17)16(9(15)18)5-3-4-10(11,12)13/h6H,2-5,14H2,1H3
InChIKeyJHZPOJYJCOHLSF-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.95
Rot. Bonds4

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

5-amino-1-ethyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione (PubChem CID 115513896) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-ethyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
PubChem CID115513896
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name5-amino-1-ethyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CCCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O2/c1-2-15-6-7(14)8(17)16(9(15)18)5-3-4-10(11,12)13/h6H,2-5,14H2,1H3
InChIKeyJHZPOJYJCOHLSF-UHFFFAOYSA-N
XLogP0.95
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.95
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-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-ethyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione (CID 115513896) is 5-amino-1-ethyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-ethyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-ethyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione is CCn1cc(N)c(=O)n(CCCC(F)(F)F)c1=O.
What is the InChIKey of 5-amino-1-ethyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
The InChIKey is JHZPOJYJCOHLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-15-6-7(14)8(17)16(9(15)18)5-3-4-10(11,12)13/h6H,2-5,14H2,1H3.
What are the key properties of 5-amino-1-ethyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
5-amino-1-ethyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione has a molecular weight of 265.23 g/mol, XLogP of 0.95, 4 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-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115513896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).