CC(C)(C)C1=NN2C=C(C=NC2=C1)Br
CAS: 916256-69-4
Name: 6-bromo-2-tert-butylpyrazolo[1,5-a]pyrimidine
SMILES: CC(C)(C)C1=NN2C=C(C=NC2=C1)Br

Molecular Processing

Molecular formula
C10H12BrN3
Molecular weight
254.13
Exact mass
253.0215
XLogP
2.79
TPSA
30.19
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
59.39

Supplementary Information

InChIKey: UNGBTHNRBPHIRC-UHFFFAOYSA-N
Synonyme
916256-69-46-Bromo-2-tert-butylpyrazolo[1,5-a]pyrimidine6-BROMO-2-(TERT-BUTYL)PYRAZOLO[1,5-A]PYRIMIDINE6-Bromo-2-tert-butyl-pyrazolo[1,5-a]pyrimidineMFCD12923050Pyrazolo[1,5-a]pyrimidine, 6-bromo-2-(1,1-dimethylethyl)-6-Bromo-2-tertbutylpyrazolo[ 1,5-a]pyrimidineSCHEMBL1988889DTXSID00729087UNGBTHNRBPHIRC-UHFFFAOYSA-NAKOS024239313KS-8442DB-079103CS-0272618EN300-1130115F302284A1-18836
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