Chemical identity

Diprophylline EP Impurity A / Theophyllidine / (Theophyllidine) N-Methyl-5-(methylamino)-1H-imidazole-4-carboxamide

CAS 6736-40-9 · C6H10N4O

01Identity

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

Lazychem IDLC-13162
PubChem CID12443409
NameDiprophylline EP Impurity A / Theophyllidine / (Theophyllidine) N-Methyl-5-(methylamino)-1H-imidazole-4-carboxamide
CAS RN6736-40-9
Molecular formulaC6H10N4O
Molecular weight154.17 g/mol
IUPAC nameN-Methyl-5-(methylamino)-1H-imidazole-4-carboxamide
InChIKeyHBYDWASAZICSRC-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 12443409
Two-dimensional chemical structure of Diprophylline EP Impurity A / Theophyllidine / (Theophyllidine) N-Methyl-5-(methylamino)-1H-imidazole-4-carboxamide, CAS 6736-40-9
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 stereocentres0
Ring count1
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESCNC1=C(NC=N1)C(=O)NC
InChINot listed
Formula from structureC6H10N4O
Molecular weight from structure154.17 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Diprophylline EP Impurity A / Theophyllidine / (Theophyllidine) N-Methyl-5-(methylamino)-1H-imidazole-4-carboxamide with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Diprophylline EP Impurity A / Theophyllidine / (Theophyllidine) N-Methyl-5-(methylamino)-1H-imidazole-4-carboxamide, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C6H9N5O2
Candidate SMILES
CNC(=O)c1[nH]cnc1N(C)N=O

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

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 6736-40-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 6736-40-9 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

Diprophylline

View API and impurity family

Other names

  • Diprophylline EP Impurity A
  • Theophyllidine / (Theophyllidine) N-Methyl-5-(methylamino)-1H-imidazole-4-carboxamide
  • Theophyllidine
  • 6736-40-9
  • N-methyl-5-(methylamino)-1H-imidazole-4-carboxamide
  • UNII-76560HOO1I
  • 76560HOO1I
  • 1H-Imidazole-4-carboxamide, N-methyl-5-(methylamino)-
  • DTXSID90217706
  • THEOPHYLLINE IMPURITY D [EP IMPURITY]
  • DIPROPHYLLINE IMPURITY A [EP IMPURITY]
  • 4-(METHYLAMINO)-5-(N-METHYLCARBAMOYL)IMIDAZOLE

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