CID 129800063

2-(pyrimidin-5-yl)pyrimidin-5-amine

Structural Information

Molecular Formula
C8H7N5
SMILES
C1=C(C=NC=N1)C2=NC=C(C=N2)N
InChI
InChI=1S/C8H7N5/c9-7-3-12-8(13-4-7)6-1-10-5-11-2-6/h1-5H,9H2
InChIKey
OFGLDEGXGPUTNP-UHFFFAOYSA-N
Compound name
2-pyrimidin-5-ylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

173.07014 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07742 134.6
[M+Na]+ 196.05936 149.6
[M+NH4]+ 191.10396 142.1
[M+K]+ 212.03330 143.1
[M-H]- 172.06286 137.5
[M+Na-2H]- 194.04481 145.0
[M]+ 173.06959 137.4
[M]- 173.07069 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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