[2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea

C7H9N5O3 — CID 4622356

IUPAC[2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea
SMILESNC(=O)NNC=Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H9N5O3/c8-6(14)11-9-2-4-12-3-1-5(13)10-7(12)15/h1-4,9H,(H3,8,11,14)(H,10,13,15)
InChIKeyZJOZAQOYUVCLAI-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.86
Rot. Bonds3

About [2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea

[2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea (PubChem CID 4622356) has the molecular formula C7H9N5O3 and a molecular weight of 211.18 g/mol. Its IUPAC name is [2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea.

Molecular Properties

Compound Name[2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea
PubChem CID4622356
Molecular FormulaC7H9N5O3
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC Name[2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea
SMILESNC(=O)NNC=Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H9N5O3/c8-6(14)11-9-2-4-12-3-1-5(13)10-7(12)15/h1-4,9H,(H3,8,11,14)(H,10,13,15)
InChIKeyZJOZAQOYUVCLAI-UHFFFAOYSA-N
XLogP-1.86
TPSA122.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea?
The IUPAC name of [2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea (CID 4622356) is [2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea.
What is the SMILES notation for [2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea?
The canonical SMILES for [2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea is NC(=O)NNC=Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of [2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea?
The InChIKey is ZJOZAQOYUVCLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3/c8-6(14)11-9-2-4-12-3-1-5(13)10-7(12)15/h1-4,9H,(H3,8,11,14)(H,10,13,15).
What are the key properties of [2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea?
[2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea has a molecular weight of 211.18 g/mol, XLogP of -1.86, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dioxopyrimidin-1-yl)ethenylamino]urea is sourced from PubChem (CID 4622356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).