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

C8H11N3O4 — CID 2064469

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCO
InChIInChI=1S/C8H11N3O4/c12-4-2-9-7(14)5-11-3-1-6(13)10-8(11)15/h1,3,12H,2,4-5H2,(H,9,14)(H,10,13,15)
InChIKeyKCNCACYPWQXPTG-UHFFFAOYSA-N
MW213.19 g/mol
LogP-2.35
Rot. Bonds4

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

2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 2064469) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID2064469
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCO
InChIInChI=1S/C8H11N3O4/c12-4-2-9-7(14)5-11-3-1-6(13)10-8(11)15/h1,3,12H,2,4-5H2,(H,9,14)(H,10,13,15)
InChIKeyKCNCACYPWQXPTG-UHFFFAOYSA-N
XLogP-2.35
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-2.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide (CID 2064469) is 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NCCO.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is KCNCACYPWQXPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-4-2-9-7(14)5-11-3-1-6(13)10-8(11)15/h1,3,12H,2,4-5H2,(H,9,14)(H,10,13,15).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 213.19 g/mol, XLogP of -2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 2064469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).