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N-[3-(6-amino-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-acetamide

HCID 22226504
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Nc1cccc(Cn2c(N)cc(=O)n(C)c2=O)c1
InChIKey
MVFFEFJUNFDFLX-UHFFFAOYSA-N
Molecular formula
C14H16N4O3
Average molar mass
288.3 g/mol

Names & identifiers

Preferred name
N-[3-(6-amino-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-acetamide
IUPAC
N-[3-[(6-amino-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]acetamide

Names & synonyms

SCHEMBL4810265MVFFEFJUNFDFLX-UHFFFAOYSA-NN-[3-(6-amino-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-acetamide

Database identifiers

PubChem CID
22226504

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
95.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
489

Related reactions

3 records
New reaction record
HRID 816320 reaction equation
HRID 816320As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 896038 reaction equation
HRID 896038As productuspto-grants-2005_07
HRID 1745799 reaction equation
HRID 1745799As productuspto-grants-2006_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes