CID 21749030

4-chloro-6-(isopropylamino)pyrimidine

Structural Information

Molecular Formula
C7H10ClN3
SMILES
CC(C)NC1=CC(=NC=N1)Cl
InChI
InChI=1S/C7H10ClN3/c1-5(2)11-7-3-6(8)9-4-10-7/h3-5H,1-2H3,(H,9,10,11)
InChIKey
GFEMVVWUEVRODL-UHFFFAOYSA-N
Compound name
6-chloro-N-propan-2-ylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

171.05632 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.063596 133.7
[M+Na]+ 194.045538 142.6
[M-H]- 170.049044 134.7
[M+NH4]+ 189.090143 152.2
[M+K]+ 210.019478 139.4
[M+H-H2O]+ 154.053580 127.1
[M+HCOO]- 216.054521 151.7
[M+CH3COO]- 230.070171 181.3
[M+Na-2H]- 192.030986 141.1
[M]+ 171.05577142 134.8
[M]- 171.05686858 134.8
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