CID 492721

4-amino-6-chloro-2-[2-(4-methoxy-6-methyl)pyridylmethylthio]-pyrimidine

Structural Information

Molecular Formula
C12H13ClN4OS
SMILES
CC1=CC(=CC(=N1)CSC2=NC(=CC(=N2)Cl)N)OC
InChI
InChI=1S/C12H13ClN4OS/c1-7-3-9(18-2)4-8(15-7)6-19-12-16-10(13)5-11(14)17-12/h3-5H,6H2,1-2H3,(H2,14,16,17)
InChIKey
KUTRVVSIHNRWAF-UHFFFAOYSA-N
Compound name
6-chloro-2-[(4-methoxy-6-methylpyridin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

296.04987 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.05715 163.3
[M+Na]+ 319.03909 174.5
[M-H]- 295.04259 166.4
[M+NH4]+ 314.08369 176.2
[M+K]+ 335.01303 167.9
[M+H-H2O]+ 279.04713 155.0
[M+HCOO]- 341.04807 175.2
[M+CH3COO]- 355.06372 174.6
[M+Na-2H]- 317.02454 165.6
[M]+ 296.04932 168.4
[M]- 296.05042 168.4
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