CID 492728

6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)methylsulfanyl]pyrimidin-4-amine

Structural Information

Molecular Formula
C11H12ClN5S
SMILES
CC1=CC(=NC(=N1)CSC2=NC(=CC(=N2)Cl)N)C
InChI
InChI=1S/C11H12ClN5S/c1-6-3-7(2)15-10(14-6)5-18-11-16-8(12)4-9(13)17-11/h3-4H,5H2,1-2H3,(H2,13,16,17)
InChIKey
BRFMOACQKMACLS-UHFFFAOYSA-N
Compound name
6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.0502 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.057476 160.4
[M+Na]+ 304.039418 172.3
[M-H]- 280.042924 162.3
[M+NH4]+ 299.084023 172.6
[M+K]+ 320.013358 165.0
[M+H-H2O]+ 264.047460 151.8
[M+HCOO]- 326.048401 171.0
[M+CH3COO]- 340.064051 171.5
[M+Na-2H]- 302.024866 163.0
[M]+ 281.04965142 164.1
[M]- 281.05074858 164.1
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