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]+ 202.108716 144.3
[M+Na]+ 224.090658 153.1
[M-H]- 200.094164 146.6
[M+NH4]+ 219.135263 158.4
[M+K]+ 240.064598 148.4
[M+H-H2O]+ 184.098700 134.9
[M+HCOO]- 246.099641 166.9
[M+CH3COO]- 260.115291 156.1
[M+Na-2H]- 222.076106 152.2
[M]+ 201.10089142 141.0
[M]- 201.10198858 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