CID 657722

2-(3,5-dimethyl-1h-pyrazol-1-yl)-n,6-dimethylpyrimidin-4-amine

Structural Information

Molecular Formula
C11H15N5
SMILES
CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NC
InChI
InChI=1S/C11H15N5/c1-7-6-10(12-4)14-11(13-7)16-9(3)5-8(2)15-16/h5-6H,1-4H3,(H,12,13,14)
InChIKey
GIAYWMGCMGIWGE-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)-N,6-dimethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

217.13275 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.140026 150.6
[M+Na]+ 240.121968 161.6
[M-H]- 216.125474 153.3
[M+NH4]+ 235.166573 166.1
[M+K]+ 256.095908 157.5
[M+H-H2O]+ 200.130010 141.3
[M+HCOO]- 262.130951 172.5
[M+CH3COO]- 276.146601 193.5
[M+Na-2H]- 238.107416 155.0
[M]+ 217.13220142 152.4
[M]- 217.13329858 152.4
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