[[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide

C₁₀H₁₅N₅O₄ — CID 6393898

About [[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide

[[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide (PubChem CID 6393898) has the molecular formula C₁₀H₁₅N₅O₄ and a molecular weight of 269.26 g/mol. Its IUPAC name is [[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide.

Molecular Properties

• Compound Name: [[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide
• PubChem CID: 6393898
• Molecular Formula: C₁₀H₁₅N₅O₄
• Molecular Weight: 269.26 g/mol
• Exact Mass: 269.11
• IUPAC Name: [[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide
• SMILES: Cc1cn(C2CC(N[NH+]=[N-])C(CO)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C10H15N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,14,16H,2,4H2,1H3,(H2-,11,12,13,17,18)
• InChIKey: IHOBRAYMCPRMCF-UHFFFAOYSA-N
• XLogP: -2.90
• TPSA: 132.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.26
LogP ≤ 5	-2.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide?

The IUPAC name of [[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide (CID 6393898) is [[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide.

What is the SMILES notation for [[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide?

The canonical SMILES for [[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide is Cc1cn(C2CC(N[NH+]=[N-])C(CO)O2)c(=O)[nH]c1=O.

What is the InChIKey of [[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide?

The InChIKey is IHOBRAYMCPRMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,14,16H,2,4H2,1H3,(H2-,11,12,13,17,18).

What are the key properties of [[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide?

[[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide has a molecular weight of 269.26 g/mol, XLogP of -2.90, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]azaniumylideneazanide is sourced from PubChem (CID 6393898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6393898 — identifiers, structure, computed properties (public domain)

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