1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione

C10H13F3N2O3 — CID 63810761

IUPAC1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CCOCC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O3/c1-2-14-4-3-8(16)15(9(14)17)5-6-18-7-10(11,12)13/h3-4H,2,5-7H2,1H3
InChIKeyCENCGQVZRWUVOX-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.61
Rot. Bonds5

About 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione

1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 63810761) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
PubChem CID63810761
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CCOCC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O3/c1-2-14-4-3-8(16)15(9(14)17)5-6-18-7-10(11,12)13/h3-4H,2,5-7H2,1H3
InChIKeyCENCGQVZRWUVOX-UHFFFAOYSA-N
XLogP0.61
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-Bis-(2-methoxyethyl)uracil
CID 86291685
1-Methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 60734977
1-[2-(Difluoromethoxy)ethyl]pyrimidine-2,4-dione
CID 164871743
3-Ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
CID 174884912
1,3-Di[2-(vinyloxy)ethyl]uracil
CID 129799974
1-Ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 55028146
5-Amino-1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 55238048
1-Propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 55238821
1-Methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 55240533
1-Methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
CID 55240925
5-Amino-1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 63801334
1-Propyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 63810453

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione (CID 63810761) is 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione is CCn1ccc(=O)n(CCOCC(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is CENCGQVZRWUVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-2-14-4-3-8(16)15(9(14)17)5-6-18-7-10(11,12)13/h3-4H,2,5-7H2,1H3.
What are the key properties of 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione?
1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 266.22 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63810761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).