Pbf-999
5-bromo-4-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)pyrimidine-4,6-diamine
Molecular Identity
Pbf-999
5-bromo-4-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)pyrimidine-4,6-diamine
PubChem CID: 77107498
2D Structure
Properties
C9H8BrN7
Molecular Formula
294.11
Molecular Weight
g/mol
293.0025
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
94.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
303
Complexity
SMILES
Canonical SMILES
SMILES: C#CCNC1=NC(=NC(=C1Br)N)N2C=NC=N2Isomeric SMILES
SMILES: C#CCNC1=NC(=NC(=C1Br)N)N2C=NC=N2Synonyms(20)
PBF-999Adenosine A2a receptor antagonist/phosphodiesterase 10a PBF-999example 42 [US9447095]4,6-Pyrimidinediamine, 5-bromo-N4-2-propyn-1-yl-2-(1H-1,2,4-triazol-1-yl)-5-Bromo-N-(prop-2-yn-1-yl)-2-(1H-1,2,4-triazol-1-yl)pyrimidine-4,6-diamineexample 42 (US9447095)5-bromo-4-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)pyrimidine-4,6-diamineRefChem:170231A2A/PDE-10A Inhibitor PBF-999PBF999DY6W3NQA36UNII-DY6W3NQA361620909-95-6Pbf 999CHEMBL3942498
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pbf-999
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