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-dimethyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

280.05493 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.062206 160.3
[M+Na]+ 303.044148 171.7
[M-H]- 279.047654 163.4
[M+NH4]+ 298.088753 173.9
[M+K]+ 319.018088 164.5
[M+H-H2O]+ 263.052190 152.2
[M+HCOO]- 325.053131 171.9
[M+CH3COO]- 339.068781 171.7
[M+Na-2H]- 301.029596 162.4
[M]+ 280.05438142 164.0
[M]- 280.05547858 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