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4-Amino-2-(cyclopropylamino)-5-pyrimidinecarbonitrile

HCID 178656336
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Basic information

CAS
1019012-23-7
Standard SMILES
N#Cc1cnc(NC2CC2)nc1N
InChIKey
STGGQDKQHAEFFC-UHFFFAOYSA-N
Molecular formula
C8H9N5
Average molar mass
175.19 g/mol
Monoisotopic mass
175.08579531

Names & identifiers

Preferred name
4-Amino-2-(cyclopropylamino)-5-pyrimidinecarbonitrile
IUPAC
4-amino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
English name
4-amino-2-(cyclopropylamino)-5-pyrimidinecarbonitrile
Molecular formula
C8H9N5
Molecular weight
175.19056

Names & synonyms

4-amino-2-(cyclopropylamino)-5-pyrimidinecarbonitrileSCHEMBL31524129AKOS006313587AO-476/434141584-amino-2-(cyclopropylamino)pyrimidine-5-carbonitrile

Database identifiers

CAS
1019012-23-7
PubChem CID
25020947

Properties

Computed structural propertiesFilling in

XLogP
1
Topological polar surface area
87.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
228

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