CID 492786

6-chloro-2-[[4-(dimethylamino)-2-pyridyl]methylsulfanyl]pyrimidin-4-amine

Structural Information

Molecular Formula
C12H14ClN5S
SMILES
CN(C)C1=CC(=NC=C1)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C12H14ClN5S/c1-18(2)9-3-4-15-8(5-9)7-19-12-16-10(13)6-11(14)17-12/h3-6H,7H2,1-2H3,(H2,14,16,17)
InChIKey
VRXBSUTXLMWUOR-UHFFFAOYSA-N
Compound name
6-chloro-2-[[4-(dimethylamino)pyridin-2-yl]methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

295.06586 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07314 163.6
[M+Na]+ 318.05508 173.4
[M-H]- 294.05858 167.8
[M+NH4]+ 313.09968 176.6
[M+K]+ 334.02902 167.4
[M+H-H2O]+ 278.06312 154.8
[M+HCOO]- 340.06406 176.8
[M+CH3COO]- 354.07971 174.7
[M+Na-2H]- 316.04053 166.7
[M]+ 295.06531 167.6
[M]- 295.06641 167.6
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

No patent data available for this compound.