CID 45791264

6-chloro-n4-cyclopropylpyrimidine-2,4-diamine

Structural Information

Molecular Formula
C7H9ClN4
SMILES
C1CC1NC2=CC(=NC(=N2)N)Cl
InChI
InChI=1S/C7H9ClN4/c8-5-3-6(10-4-1-2-4)12-7(9)11-5/h3-4H,1-2H2,(H3,9,10,11,12)
InChIKey
AGDMMBNYUDVARJ-UHFFFAOYSA-N
Compound name
6-chloro-4-N-cyclopropylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

184.05157 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.058846 138.4
[M+Na]+ 207.040788 149.3
[M-H]- 183.044294 142.9
[M+NH4]+ 202.085393 151.1
[M+K]+ 223.014728 143.6
[M+H-H2O]+ 167.048830 131.1
[M+HCOO]- 229.049771 158.5
[M+CH3COO]- 243.065421 150.9
[M+Na-2H]- 205.026236 145.5
[M]+ 184.05102142 139.8
[M]- 184.05211858 139.8
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