6-benzyl-5,6,7,8-tetrahydro-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrido[3,4-d]pyrimidin-4-amine

HCID 68413745
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Basic information

Standard SMILES
c1ccc(CC2Cc3c(ncnc3Nc3ccc4c(c3)OCCO4)CN2)cc1
InChIKey
PTUZZCOHQBLTHY-UHFFFAOYSA-N
Molecular formula
C22H22N4O2
Average molar mass
374.4 g/mol

Names & identifiers

Preferred name
6-benzyl-5,6,7,8-tetrahydro-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrido[3,4-d]pyrimidin-4-amine
IUPAC
6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

Names & synonyms

SCHEMBL2845220PTUZZCOHQBLTHY-UHFFFAOYSA-N6-benzyl-5,6,7,8-tetrahydro-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrido[3,4-d]pyrimidin-4-amine

Database identifiers

PubChem CID
68413745

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
68.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
28

Related reactions

3 records
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Compound notes

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