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AB-323/25048145

HCID 816935
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
55276-24-9
Standard SMILES
Cc1c(N)c(=O)n(C)c(=O)n1C
InChIKey
FDKLGFYAEDLCNA-UHFFFAOYSA-N
Molecular formula
C7H11N3O2
Average molar mass
169.18 g/mol
Monoisotopic mass
169.08512659

Names & identifiers

Preferred name
AB-323/25048145
IUPAC
5-amino-1,3,6-trimethylpyrimidine-2,4-dione

Names & synonyms

55276-24-9DTXSID30355717AB-323/25048145RefChem:313825DTXCID003067765-amino-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione5-amino-1,3,6-trimethylpyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 5-amino-1,3,6-trimethyl-SCHEMBL4805535-amino-1,3,6-trimethyluracilFDKLGFYAEDLCNA-UHFFFAOYSA-NSBB088284
Show more names
AKOS006274905ST104017CS-03670485-amino-1,3,6-trimethyl-1,3-dihydropyrimidine-2,4-dione

Database identifiers

CAS
55276-24-9
PubChem CID
816935
DTXSID
DTXSID30355717
Nikkaji
J2.766.749J

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
66.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
282

Related reactions

7 records
New reaction record
HRID 365183 reaction equation
HRID 365183As reactantuspto-grants-1986_08
HRID 467861 reaction equation
HRID 467861As productuspto-grants-2014_01
HRID 467862 reaction equation
HRID 467862As reactantuspto-grants-2014_01
HRID 673628 reaction equation
HRID 673628As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1467831 reaction equation
HRID 1467831As productuspto-grants-2015_04
HRID 1467832 reaction equation
HRID 1467832As reactantuspto-grants-2015_04
HRID 1903784 reaction equation
HRID 1903784As reactantuspto-grants-1984_03

Compound notes

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