2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide

C8H10FN3O4 — CID 3150928

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(F)c(=O)[nH]c1=O)NCCO
InChIInChI=1S/C8H10FN3O4/c9-5-3-12(8(16)11-7(5)15)4-6(14)10-1-2-13/h3,13H,1-2,4H2,(H,10,14)(H,11,15,16)
InChIKeyMKOQJGORIPDFNY-UHFFFAOYSA-N
MW231.18 g/mol
LogP-2.22
Rot. Bonds4

About 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 3150928) has the molecular formula C8H10FN3O4 and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID3150928
Molecular FormulaC8H10FN3O4
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(F)c(=O)[nH]c1=O)NCCO
InChIInChI=1S/C8H10FN3O4/c9-5-3-12(8(16)11-7(5)15)4-6(14)10-1-2-13/h3,13H,1-2,4H2,(H,10,14)(H,11,15,16)
InChIKeyMKOQJGORIPDFNY-UHFFFAOYSA-N
XLogP-2.22
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide (CID 3150928) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide is O=C(Cn1cc(F)c(=O)[nH]c1=O)NCCO.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is MKOQJGORIPDFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O4/c9-5-3-12(8(16)11-7(5)15)4-6(14)10-1-2-13/h3,13H,1-2,4H2,(H,10,14)(H,11,15,16).
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 231.18 g/mol, XLogP of -2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 3150928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).