[4-Amino-2-(piperidin-4-ylamino)-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone

HCID 10316630
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Basic information

Standard SMILES
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCNCC2)nc1N
InChIKey
ALKHVWYPHMXSLD-UHFFFAOYSA-N
Molecular formula
C17H19F2N5O2
Average molar mass
363.4 g/mol
Monoisotopic mass
363.15068119

Names & identifiers

Preferred name
[4-Amino-2-(piperidin-4-ylamino)-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone
IUPAC
[4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone

Names & synonyms

SCHEMBL4349294ALKHVWYPHMXSLD-UHFFFAOYSA-N[4-amino-2-(piperidin-4-ylamino)-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone

Database identifiers

PubChem CID
10316630

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
102 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
26

Related reactions

6 records
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Compound notes

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