Chemical identity

3-(((4-Amino-2-methylpyrimidin-5-yl)methyl)thio)-5-hydroxypentan-2-one

CAS 2410791-57-8 · C11H17N3O2S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-29445
PubChem CID153560652
Name3-(((4-Amino-2-methylpyrimidin-5-yl)methyl)thio)-5-hydroxypentan-2-one
CAS RN2410791-57-8
Molecular formulaC11H17N3O2S
Molecular weight255.3 g/mol
IUPAC name3-(((4-Amino-2-methylpyrimidin-5-yl)methyl)thio)-5-hydroxypentan-2-one
InChIKeySQYLYQAJXGYBNG-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 153560652
Two-dimensional chemical structure of 3-(((4-Amino-2-methylpyrimidin-5-yl)methyl)thio)-5-hydroxypentan-2-one, CAS 2410791-57-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=NC=C(C(=N1)N)CSC(CCO)C(=O)C
InChINot listed
Formula from structureC11H17N3O2S
Molecular weight from structure255.3 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 2410791-57-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2410791-57-8 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Thiamine

View API and impurity family

Other names

  • Thiamine Impurity 12
  • 3-(((4-Amino-2-methylpyrimidin-5-yl)methyl)thio)-5-hydroxypentan-2-one
  • 2410791-57-8
  • Thiamine Impurity 54
  • SCHEMBL23748351
  • Z3069283620

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources