CID 492842

4-pyrimidinamine, 6-chloro-2-[[1-[4-methyl-6-(1-pyrrolidinyl)-2-pyridinyl]ethyl]thio]-

Structural Information

Molecular Formula
C16H20ClN5S
SMILES
CC1=CC(=NC(=C1)N2CCCC2)C(C)SC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C16H20ClN5S/c1-10-7-12(19-15(8-10)22-5-3-4-6-22)11(2)23-16-20-13(17)9-14(18)21-16/h7-9,11H,3-6H2,1-2H3,(H2,18,20,21)
InChIKey
GDDWXYDXVJNRSQ-UHFFFAOYSA-N
Compound name
6-chloro-2-[1-(4-methyl-6-pyrrolidin-1-ylpyridin-2-yl)ethylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

349.1128 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12008 180.3
[M+Na]+ 372.10202 189.2
[M-H]- 348.10552 184.7
[M+NH4]+ 367.14662 191.1
[M+K]+ 388.07596 181.9
[M+H-H2O]+ 332.11006 170.7
[M+HCOO]- 394.11100 187.9
[M+CH3COO]- 408.12665 189.5
[M+Na-2H]- 370.08747 177.3
[M]+ 349.11225 181.2
[M]- 349.11335 181.2
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