CID 492728

6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)methylsulfanyl]pyrimidin-4-amine

Structural Information

Molecular Formula
C11H12ClN5S
SMILES
CC1=CC(=NC(=N1)CSC2=NC(=CC(=N2)Cl)N)C
InChI
InChI=1S/C11H12ClN5S/c1-6-3-7(2)15-10(14-6)5-18-11-16-8(12)4-9(13)17-11/h3-4H,5H2,1-2H3,(H2,13,16,17)
InChIKey
BRFMOACQKMACLS-UHFFFAOYSA-N
Compound name
6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.0502 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05748 160.4
[M+Na]+ 304.03942 172.3
[M-H]- 280.04292 162.3
[M+NH4]+ 299.08402 172.6
[M+K]+ 320.01336 165.0
[M+H-H2O]+ 264.04746 151.8
[M+HCOO]- 326.04840 171.0
[M+CH3COO]- 340.06405 171.5
[M+Na-2H]- 302.02487 163.0
[M]+ 281.04965 164.1
[M]- 281.05075 164.1
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