CID 492867

6-tert-butyl-2-[(4-isopropyl-2-pyridyl)methylsulfanyl]pyrimidin-4-amine

Structural Information

Molecular Formula
C17H24N4S
SMILES
CC(C)C1=CC(=NC=C1)CSC2=NC(=CC(=N2)N)C(C)(C)C
InChI
InChI=1S/C17H24N4S/c1-11(2)12-6-7-19-13(8-12)10-22-16-20-14(17(3,4)5)9-15(18)21-16/h6-9,11H,10H2,1-5H3,(H2,18,20,21)
InChIKey
OHNGSPDHXUWALH-UHFFFAOYSA-N
Compound name
6-tert-butyl-2-[(4-propan-2-ylpyridin-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17218 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17946 177.9
[M+Na]+ 339.16140 185.8
[M-H]- 315.16490 180.4
[M+NH4]+ 334.20600 189.0
[M+K]+ 355.13534 179.9
[M+H-H2O]+ 299.16944 168.8
[M+HCOO]- 361.17038 190.0
[M+CH3COO]- 375.18603 211.0
[M+Na-2H]- 337.14685 178.6
[M]+ 316.17163 179.9
[M]- 316.17273 179.9
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

No patent data available for this compound.