5-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]pyrimidine-2,4,6(1H,3H,5H)-trione

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Basic information

CAS: 5784-38-3
Standard SMILES: Cn1c(=O)c2[nH]c(N=Nc3c(O)[nH]c(=O)[nH]c3=O)nc2n(C)c1=O
InChIKey: GCMRKQBDUOGTQY-UHFFFAOYSA-N
Molecular formula: C11H10N8O5
Average molar mass: 334.25 g/mol
Monoisotopic mass: 334.07741545

Names & identifiers

Preferred name: 5-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
IUPAC: 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-1,3-dimethyl-7H-purine-2,6-dione

Names & synonyms

CBMicro_0329565784-38-32,4,5,6(1H,3H)-pyrimidinetetrone 5-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone]5-[2-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]-1,3-diazinane-2,4,6-trioneCHEMBL2179993DTXSID60417094STK806419AKOS0016508755-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]pyrimidine-2,4,6(1H,3H,5H)-trioneBIM-0032908.P0018-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-1,3-dimethyl-7H-purine-2,6-dione5-(2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione

Database identifiers

CAS: 5784-38-3
PubChem CID: 2868046
DTXSID: DTXSID60417094
ChEMBL: CHEMBL2179993

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 172 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 703

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Compound notes

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