CID 136027792

2-(5-amino-3-methyl-1h-pyrazol-1-yl)-5,6-dimethylpyrimidin-4(3h)-one

Structural Information

Molecular Formula
C10H13N5O
SMILES
CC1=NN(C(=C1)N)C2=NC(=C(C(=O)N2)C)C
InChI
InChI=1S/C10H13N5O/c1-5-4-8(11)15(14-5)10-12-7(3)6(2)9(16)13-10/h4H,11H2,1-3H3,(H,12,13,16)
InChIKey
BOUOWBPSCZVOLB-UHFFFAOYSA-N
Compound name
2-(5-amino-3-methylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.11201 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11929 149.4
[M+Na]+ 242.10123 162.4
[M+NH4]+ 237.14583 155.0
[M+K]+ 258.07517 159.4
[M-H]- 218.10473 150.3
[M+Na-2H]- 240.08668 155.1
[M]+ 219.11146 151.2
[M]- 219.11256 151.2
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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No literature data available for this compound.

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No patent data available for this compound.