3-Methoxy-5-(6-(piperidin-4-ylmethylamino)pyrimidin-4-ylamino)-pyrazine-2-carbonitrile

HCID 59613499
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Basic information

Standard SMILES
COc1nc(Nc2cc(NCC3CCNCC3)ncn2)cnc1C#N
InChIKey
IFWKHEVGPHXVKR-UHFFFAOYSA-N
Molecular formula
C16H20N8O
Average molar mass
340.38 g/mol

Names & identifiers

Preferred name
3-Methoxy-5-(6-(piperidin-4-ylmethylamino)pyrimidin-4-ylamino)-pyrazine-2-carbonitrile
IUPAC
3-methoxy-5-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

Names & synonyms

SCHEMBL618363IFWKHEVGPHXVKR-UHFFFAOYSA-N3-Methoxy-5-(6-(piperidin-4-ylmethylamino)pyrimidin-4-ylamino)-pyrazine-2-carbonitrile

Database identifiers

PubChem CID
59613499

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
121 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
25

Related reactions

3 records
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Compound notes

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