CID 44629554

N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine

Structural Information

Molecular Formula
C19H17F2N7
SMILES
CCC1=C2N=C(C=C(N2N=C1)NCC3=CN=C(N=C3)N)C4=C(C=CC=C4F)F
InChI
InChI=1S/C19H17F2N7/c1-2-12-10-26-28-16(23-7-11-8-24-19(22)25-9-11)6-15(27-18(12)28)17-13(20)4-3-5-14(17)21/h3-6,8-10,23H,2,7H2,1H3,(H2,22,24,25)
InChIKey
HQPVGVSQPQVZLD-UHFFFAOYSA-N
Compound name
N-[(2-aminopyrimidin-5-yl)methyl]-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

381.15134 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15862 190.9
[M+Na]+ 404.14056 202.8
[M-H]- 380.14406 193.8
[M+NH4]+ 399.18516 198.3
[M+K]+ 420.11450 193.2
[M+H-H2O]+ 364.14860 177.0
[M+HCOO]- 426.14954 209.1
[M+CH3COO]- 440.16519 199.8
[M+Na-2H]- 402.12601 194.5
[M]+ 381.15079 190.9
[M]- 381.15189 190.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe