2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H13F3N4O3 — CID 63801147

IUPAC2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1cc(N)c(=O)n(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N4O3/c1-2-16-3-6(14)8(19)17(9(16)20)4-7(18)15-5-10(11,12)13/h3H,2,4-5,14H2,1H3,(H,15,18)
InChIKeyIZQVMRCMLXHSIC-UHFFFAOYSA-N
MW294.23 g/mol
LogP-0.71
Rot. Bonds4

About 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63801147) has the molecular formula C10H13F3N4O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63801147
Molecular FormulaC10H13F3N4O3
Molecular Weight294.23 g/mol
Exact Mass294.09
IUPAC Name2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1cc(N)c(=O)n(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N4O3/c1-2-16-3-6(14)8(19)17(9(16)20)4-7(18)15-5-10(11,12)13/h3H,2,4-5,14H2,1H3,(H,15,18)
InChIKeyIZQVMRCMLXHSIC-UHFFFAOYSA-N
XLogP-0.71
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 63801147) is 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCn1cc(N)c(=O)n(CC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IZQVMRCMLXHSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O3/c1-2-16-3-6(14)8(19)17(9(16)20)4-7(18)15-5-10(11,12)13/h3H,2,4-5,14H2,1H3,(H,15,18).
What are the key properties of 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 294.23 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63801147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).