CID 56828412

2-(4-methylpiperazin-1-yl)pyrimidin-5-amine

Structural Information

Molecular Formula
C9H15N5
SMILES
CN1CCN(CC1)C2=NC=C(C=N2)N
InChI
InChI=1S/C9H15N5/c1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h6-7H,2-5,10H2,1H3
InChIKey
IJAHRSPWFZQXTO-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

193.13275 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.140026 146.3
[M+Na]+ 216.121968 153.3
[M-H]- 192.125474 146.7
[M+NH4]+ 211.166573 159.6
[M+K]+ 232.095908 149.7
[M+H-H2O]+ 176.130010 136.3
[M+HCOO]- 238.130951 163.0
[M+CH3COO]- 252.146601 156.8
[M+Na-2H]- 214.107416 151.9
[M]+ 193.13220142 140.5
[M]- 193.13329858 140.5
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