4-amino-6-[[(1S)-1-[6-fluoro-1-methyl-7-(4-pyridyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile

HCID 68157463
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Basic information

Standard SMILES
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)c(-c3ccncc3)c2n1C
InChIKey
DTMFCRZBNKCYJR-NSHDSACASA-N
Molecular formula
C20H17FN8
Average molar mass
388.4 g/mol
Monoisotopic mass
388.15602074

Names & identifiers

Preferred name
4-amino-6-[[(1S)-1-[6-fluoro-1-methyl-7-(4-pyridyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
IUPAC
4-amino-6-[[(1S)-1-(6-fluoro-1-methyl-7-pyridin-4-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile

Names & synonyms

SCHEMBL11901174DTMFCRZBNKCYJR-NSHDSACASA-N4-amino-6-[[(1S)-1-[6-fluoro-1-methyl-7-(4-pyridyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile

Database identifiers

PubChem CID
68157463

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
118 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
29

Related reactions

1 records
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Compound notes

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