Acetylthymine

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Basic information

CAS: 13251-16-6
Standard SMILES: CC(=O)n1cc(C)c(=O)[nH]c1=O
InChIKey: YBXJEAPQVULNKE-UHFFFAOYSA-N
Molecular formula: C7H8N2O3
Average molar mass: 168.15 g/mol
Monoisotopic mass: 168.05349212

Names & identifiers

Preferred name: Acetylthymine
IUPAC: 1-acetyl-5-methylpyrimidine-2,4-dione

Names & synonyms

acetylthymine13251-16-6DTXSID60349861RefChem:317027DTXCID003009311-Acetyl-5-methylpyrimidine-2,4(1H,3H)-dione1-acetyl-5-methyl-2,4(1H,3H)-pyrimidinedione2,4(1H,3H)-Pyrimidinedione, 1-acetyl-5-methyl-1-acetyl-5-methylpyrimidine-2,4-dioneN1-Acetylthymine1-thyminylacetaldehyde1-acetyl-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Show more names

SCHEMBL6713750SBB088150STL512711AKOS004910244AN-584/434095411-acetyl-5-methyl-2,4-dioxo-1,3-dihydropyrimidine

Database identifiers

CAS: 13251-16-6
PubChem CID: 667607
DTXSID: DTXSID60349861
Nikkaji: J790.435E

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 293

Related reactions

1 records

New reaction record

HRID 93247As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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