1-(2-(6-Amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl)prop-2-en-1-one

HCID 71474445
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Basic information

Standard SMILES
C=CC(=O)N1CCC2(CC1)CN(c1ncnc(N)c1-c1ccc(Oc3ccccc3)cc1)C2
InChIKey
DUXIZBHPKPUYTP-UHFFFAOYSA-N
Molecular formula
C26H27N5O2
Average molar mass
441.5 g/mol

Names & identifiers

Preferred name
1-(2-(6-Amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl)prop-2-en-1-one
IUPAC
1-[2-[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]prop-2-en-1-one

Names & synonyms

SCHEMBL14165871DUXIZBHPKPUYTP-UHFFFAOYSA-N1-(2-(6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl)prop-2-en-1-one

Database identifiers

PubChem CID
71474445

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
84.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
33

Related reactions

1 records
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Compound notes

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