CID 492722

4-amino-6-chloro-2-[2-(4,6-dimethyl)pyridylmethylthio]-pyrimidine

Structural Information

Molecular Formula
C12H13ClN4S
SMILES
CC1=CC(=NC(=C1)CSC2=NC(=CC(=N2)Cl)N)C
InChI
InChI=1S/C12H13ClN4S/c1-7-3-8(2)15-9(4-7)6-18-12-16-10(13)5-11(14)17-12/h3-5H,6H2,1-2H3,(H2,14,16,17)
InChIKey
ZWEYIYJISZVPTC-UHFFFAOYSA-N
Compound name
6-chloro-2-[(4,6-dimethylpyridin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

280.05493 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06221 160.3
[M+Na]+ 303.04415 171.7
[M-H]- 279.04765 163.4
[M+NH4]+ 298.08875 173.9
[M+K]+ 319.01809 164.5
[M+H-H2O]+ 263.05219 152.2
[M+HCOO]- 325.05313 171.9
[M+CH3COO]- 339.06878 171.7
[M+Na-2H]- 301.02960 162.4
[M]+ 280.05438 164.0
[M]- 280.05548 164.0
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