CID 135431314

4-amino-2-dimethylamino-6-hydroxypyrimidine hemihydrate

Structural Information

Molecular Formula
C6H10N4O
SMILES
CN(C)C1=NC(=CC(=O)N1)N
InChI
InChI=1S/C6H10N4O/c1-10(2)6-8-4(7)3-5(11)9-6/h3H,1-2H3,(H3,7,8,9,11)
InChIKey
ZBWZIUPJSKQVQC-UHFFFAOYSA-N
Compound name
4-amino-2-(dimethylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

154.08546 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.092736 130.7
[M+Na]+ 177.074678 139.7
[M-H]- 153.078184 132.1
[M+NH4]+ 172.119283 148.7
[M+K]+ 193.048618 138.0
[M+H-H2O]+ 137.082720 123.5
[M+HCOO]- 199.083661 154.5
[M+CH3COO]- 213.099311 181.2
[M+Na-2H]- 175.060126 137.5
[M]+ 154.08491142 128.9
[M]- 154.08600858 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe