CID 608444

Pyrimidine, 2,4-diamino-5-(3-pyridylmethyl)-

Structural Information

Molecular Formula
C10H11N5
SMILES
C1=CC(=CN=C1)CC2=CN=C(N=C2N)N
InChI
InChI=1S/C10H11N5/c11-9-8(6-14-10(12)15-9)4-7-2-1-3-13-5-7/h1-3,5-6H,4H2,(H4,11,12,14,15)
InChIKey
FMBYANWCIULBGK-UHFFFAOYSA-N
Compound name
5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

201.10144 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10872 143.1
[M+Na]+ 224.09066 156.7
[M+NH4]+ 219.13526 150.5
[M+K]+ 240.06460 150.4
[M-H]- 200.09416 146.9
[M+Na-2H]- 222.07611 152.4
[M]+ 201.10089 145.9
[M]- 201.10199 145.9
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

patents stripe