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

C8H10F3N3O3 — CID 63800084

IUPAC5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
SMILESNc1cn(CCOCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C8H10F3N3O3/c9-8(10,11)4-17-2-1-14-3-5(12)6(15)13-7(14)16/h3H,1-2,4,12H2,(H,13,15,16)
InChIKeyRVQOGUDXDMPKDV-UHFFFAOYSA-N
MW253.18 g/mol
LogP-0.30
Rot. Bonds4

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

5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 63800084) has the molecular formula C8H10F3N3O3 and a molecular weight of 253.18 g/mol. Its IUPAC name is 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
PubChem CID63800084
Molecular FormulaC8H10F3N3O3
Molecular Weight253.18 g/mol
Exact Mass253.07
IUPAC Name5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
SMILESNc1cn(CCOCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C8H10F3N3O3/c9-8(10,11)4-17-2-1-14-3-5(12)6(15)13-7(14)16/h3H,1-2,4,12H2,(H,13,15,16)
InChIKeyRVQOGUDXDMPKDV-UHFFFAOYSA-N
XLogP-0.30
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione (CID 63800084) is 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione is Nc1cn(CCOCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is RVQOGUDXDMPKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O3/c9-8(10,11)4-17-2-1-14-3-5(12)6(15)13-7(14)16/h3H,1-2,4,12H2,(H,13,15,16).
What are the key properties of 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione?
5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 253.18 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63800084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).