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

6
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 144.3
[M+Na]+ 224.09066 153.1
[M-H]- 200.09416 146.6
[M+NH4]+ 219.13526 158.4
[M+K]+ 240.06460 148.4
[M+H-H2O]+ 184.09870 134.9
[M+HCOO]- 246.09964 166.9
[M+CH3COO]- 260.11529 156.1
[M+Na-2H]- 222.07611 152.2
[M]+ 201.10089 141.0
[M]- 201.10199 141.0
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