n-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-cyanoacetamide

HCID 225212

Notes Reactions

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Basic information

CAS: 5463-54-7
Standard SMILES: Cn1c(N)c(NC(=O)CC#N)c(=O)n(C)c1=O
InChIKey: IAFPLSAVZUDFSX-UHFFFAOYSA-N
Molecular formula: C9H11N5O3
Average molar mass: 237.22 g/mol
Monoisotopic mass: 237.08618923

Names & identifiers

Preferred name: n-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-cyanoacetamide
IUPAC: N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-cyanoacetamide

Names & synonyms

5463-54-7n-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-cyanoacetamideNSC14366SCHEMBL11081671DTXSID30279863IAFPLSAVZUDFSX-UHFFFAOYSA-NNSC-143665-cyanoacetamido-6-amino-1,3-dimethyluracil

Database identifiers

CAS: 5463-54-7
PubChem CID: 225212
DTXSID: DTXSID30279863
Nikkaji: J96.604E

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 120 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 472

Related reactions

4 records

New reaction record

HRID 164065As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 544736As productuspto-grants-1984_05

HRID 544737As productuspto-grants-1984_05

HRID 1146423As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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