2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide

C8H10FN3O3 — CID 71019131

IUPAC2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide
SMILESNC(=O)Cc1cc(=O)n(CCF)c(=O)[nH]1
InChIInChI=1S/C8H10FN3O3/c9-1-2-12-7(14)4-5(3-6(10)13)11-8(12)15/h4H,1-3H2,(H2,10,13)(H,11,15)
InChIKeyKVRGEDHSHYBWDM-UHFFFAOYSA-N
MW215.18 g/mol
LogP-1.47
Rot. Bonds4

About 2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide

2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide (PubChem CID 71019131) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide
PubChem CID71019131
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide
SMILESNC(=O)Cc1cc(=O)n(CCF)c(=O)[nH]1
InChIInChI=1S/C8H10FN3O3/c9-1-2-12-7(14)4-5(3-6(10)13)11-8(12)15/h4H,1-3H2,(H2,10,13)(H,11,15)
InChIKeyKVRGEDHSHYBWDM-UHFFFAOYSA-N
XLogP-1.47
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide?
The IUPAC name of 2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide (CID 71019131) is 2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide.
What is the SMILES notation for 2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide?
The canonical SMILES for 2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide is NC(=O)Cc1cc(=O)n(CCF)c(=O)[nH]1.
What is the InChIKey of 2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide?
The InChIKey is KVRGEDHSHYBWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c9-1-2-12-7(14)4-5(3-6(10)13)11-8(12)15/h4H,1-3H2,(H2,10,13)(H,11,15).
What are the key properties of 2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide?
2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide has a molecular weight of 215.18 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide is sourced from PubChem (CID 71019131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).