CID 736674

4,6-dichloro-2-methylpyrimidin-5-amine

Structural Information

Molecular Formula
C5H5Cl2N3
SMILES
CC1=NC(=C(C(=N1)Cl)N)Cl
InChI
InChI=1S/C5H5Cl2N3/c1-2-9-4(6)3(8)5(7)10-2/h8H2,1H3
InChIKey
FKRXXAMAHOGYNT-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-methylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

629
Patents

176.98605 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.99333 130.8
[M+Na]+ 199.97527 142.8
[M-H]- 175.97877 131.3
[M+NH4]+ 195.01987 149.7
[M+K]+ 215.94921 138.0
[M+H-H2O]+ 159.98331 125.6
[M+HCOO]- 221.98425 144.5
[M+CH3COO]- 235.99990 180.8
[M+Na-2H]- 197.96072 136.9
[M]+ 176.98550 132.2
[M]- 176.98660 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe