9-(Cyclopropylmethyl)-8-fluoro-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine

HCID 58300071
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Basic information

Standard SMILES
Nc1ncc2c3ccnc(F)c3n(CC3CC3)c2n1
InChIKey
CEJRYTIGWLLJPI-UHFFFAOYSA-N
Molecular formula
C13H12FN5
Average molar mass
257.27 g/mol
Monoisotopic mass
257.10767357

Names & identifiers

Preferred name
9-(Cyclopropylmethyl)-8-fluoro-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine
IUPAC
8-(cyclopropylmethyl)-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

Names & synonyms

SCHEMBL1977968CEJRYTIGWLLJPI-UHFFFAOYSA-N9-(Cyclopropylmethyl)-8-fluoro-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine

Database identifiers

PubChem CID
58300071

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
69.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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9-(Cyclopropylmethyl)-8-fluoro-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine (HCID 58300071)｜Huagongshe