2-N-Methyl-2-N-phenyl-6-(5-{5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine

HCID 56941981
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Basic information

Standard SMILES
CN(c1ccccc1)c1nc(N)nc(-c2noc(N3Cc4cncnc4C3)n2)n1
InChIKey
NFZLJLHLTFTIND-UHFFFAOYSA-N
Molecular formula
C18H16N10O
Average molar mass
388.4 g/mol
Monoisotopic mass
388.15085517

Names & identifiers

Preferred name
2-N-Methyl-2-N-phenyl-6-(5-{5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine
IUPAC
6-[5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine

Names & synonyms

SCHEMBL795693NFZLJLHLTFTIND-UHFFFAOYSA-N2-N-Methyl-2-N-phenyl-6-(5-{5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine

Database identifiers

PubChem CID
56941981

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
136 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
4
Heavy atoms
29

Related reactions

1 records
New reaction record

Compound notes

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