5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione

C10H14F3N3O2 — CID 66328155

IUPAC5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CCNCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H14F3N3O2/c1-2-7-5-16(9(18)15-8(7)17)4-3-14-6-10(11,12)13/h5,14H,2-4,6H2,1H3,(H,15,17,18)
InChIKeyRFQDTAMGCVLNQV-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.25
Rot. Bonds5

About 5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione

5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 66328155) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione
PubChem CID66328155
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CCNCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H14F3N3O2/c1-2-7-5-16(9(18)15-8(7)17)4-3-14-6-10(11,12)13/h5,14H,2-4,6H2,1H3,(H,15,17,18)
InChIKeyRFQDTAMGCVLNQV-UHFFFAOYSA-N
XLogP0.25
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione (CID 66328155) is 5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione is CCc1cn(CCNCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is RFQDTAMGCVLNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-7-5-16(9(18)15-8(7)17)4-3-14-6-10(11,12)13/h5,14H,2-4,6H2,1H3,(H,15,17,18).
What are the key properties of 5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione?
5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 265.23 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66328155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).