CID 492775

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

Structural Information

Molecular Formula
C13H15ClN4S
SMILES
CC(C)C1=CC(=NC=C1)CSC2=NC(=CC(=N2)Cl)N
InChI
InChI=1S/C13H15ClN4S/c1-8(2)9-3-4-16-10(5-9)7-19-13-17-11(14)6-12(15)18-13/h3-6,8H,7H2,1-2H3,(H2,15,17,18)
InChIKey
FEPSKXDPSMSMPS-UHFFFAOYSA-N
Compound name
6-chloro-2-[(4-propan-2-ylpyridin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

294.0706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07788 163.6
[M+Na]+ 317.05982 173.4
[M-H]- 293.06332 166.3
[M+NH4]+ 312.10442 176.3
[M+K]+ 333.03376 166.5
[M+H-H2O]+ 277.06786 155.3
[M+HCOO]- 339.06880 174.0
[M+CH3COO]- 353.08445 174.3
[M+Na-2H]- 315.04527 165.2
[M]+ 294.07005 166.8
[M]- 294.07115 166.8
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