2-(4-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile

HCID 59840712
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Basic information

Standard SMILES
COc1ncnc2c1CN(c1ccc(C)cc1C#N)CC2
InChIKey
GMKMHEMLGPLOKR-UHFFFAOYSA-N
Molecular formula
C16H16N4O
Average molar mass
280.32 g/mol
Monoisotopic mass
280.13241115

Names & identifiers

Preferred name
2-(4-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile
IUPAC
2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-5-methylbenzonitrile

Names & synonyms

SCHEMBL2859985GMKMHEMLGPLOKR-UHFFFAOYSA-N2-(4-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile

Database identifiers

PubChem CID
59840712

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
62 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
21

Related reactions

4 records
New reaction record

Linked notes

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