8-Hydroxy-2-imino-6-(2-methoxyphenyl)pteridin-4-amine

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Basic information

CAS: 50691-62-8
Standard SMILES: COc1ccccc1-c1cn(O)c2nc(=N)nc(N)c-2n1
InChIKey: PPCXLMZPONVICR-UHFFFAOYSA-N
Molecular formula: C13H12N6O2
Average molar mass: 284.27 g/mol
Monoisotopic mass: 284.10217365

Names & identifiers

Preferred name: 8-Hydroxy-2-imino-6-(2-methoxyphenyl)pteridin-4-amine
IUPAC: 8-hydroxy-2-imino-6-(2-methoxyphenyl)pteridin-4-amine

Names & synonyms

NSC25104050691-62-88-hydroxy-2-imino-6-(2-methoxyphenyl)pteridin-4-amineDTXSID40394733NSC-2510406-(2-METHOXYPHENYL)-2, 8-OXIDE6-(2-Methoxyphenyl)pteridine-2,4-diamine 8-oxide4-Amino-2-imino-6-(2-methoxyphenyl)pteridin-8(2H)-ol6-(2-methoxyphenyl)-8-oxido-pteridin-8-ium-2,4-diamine

Database identifiers

CAS: 50691-62-8
PubChem CID: 3657232
DTXSID: DTXSID40394733

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 120 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 591

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Compound notes

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