CID 3046309

2-pyrimidinamine, 5-bromo-4-chloro-6-(4-methyl-1-piperazinyl)-

Structural Information

Molecular Formula
C9H13BrClN5
SMILES
CN1CCN(CC1)C2=C(C(=NC(=N2)N)Cl)Br
InChI
InChI=1S/C9H13BrClN5/c1-15-2-4-16(5-3-15)8-6(10)7(11)13-9(12)14-8/h2-5H2,1H3,(H2,12,13,14)
InChIKey
PKHTXFLSLWMUGZ-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.0043 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.01158 161.5
[M+Na]+ 327.99352 165.7
[M+NH4]+ 323.03812 165.3
[M+K]+ 343.96746 165.2
[M-H]- 303.99702 162.3
[M+Na-2H]- 325.97897 164.5
[M]+ 305.00375 161.3
[M]- 305.00485 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe