Chemical identity

N',N'''-(4,6-dichloropyrimidine-2,5-diyl)bis(N,N-dimethylformimidamide)

CAS 171887-01-7 · C10H14Cl2N6

01Identity

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

Lazychem IDLC-04411
PubChem CID54012612
NameN',N'''-(4,6-dichloropyrimidine-2,5-diyl)bis(N,N-dimethylformimidamide)
CAS RN171887-01-7
Molecular formulaC10H14Cl2N6
Molecular weight289.16 g/mol
IUPAC name(1E,1'E)-N',N''-(4,6-dichloropyrimidine-2,5-diyl)bis(N,N-dimethylformimidamide)
InChIKeyKTKOGYHDCBXJIS-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 54012612
Two-dimensional chemical structure of N',N'''-(4,6-dichloropyrimidine-2,5-diyl)bis(N,N-dimethylformimidamide), CAS 171887-01-7
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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines2
N-methyl amine sites4
SMILESCN(C)C=NC1=C(N=C(N=C1Cl)N=CN(C)C)Cl
InChINot listed
Formula from structureC10H14Cl2N6
Molecular weight from structure289.16 g/mol

03Possible N-nitroso structures

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

Matched amine site2 candidates
Chemical structure of N',N'''-(4,6-dichloropyrimidine-2,5-diyl)bis(N,N-dimethylformimidamide) 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 N',N'''-(4,6-dichloropyrimidine-2,5-diyl)bis(N,N-dimethylformimidamide), 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
C9H11Cl2N7O
Candidate SMILES
CN(C)C=Nc1nc(Cl)c(N=CN(C)N=O)c(Cl)n1
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C9H11Cl2N7O
Candidate SMILES
CN(C)C=Nc1c(Cl)nc(N=CN(C)N=O)nc1Cl

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 171887-01-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 171887-01-7 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

Abacavir

View API and impurity family

Other names

  • Abacavir Impurity 7
  • N',N'''-(4,6-dichloropyrimidine-2,5-diyl)bis(N,N-dimethylformimidamide)
  • Methanimidamide
  • N′,N′′′-(4,6-dichloro-2,5-pyrimidinediyl)bis[N,N-dimethyl-
  • 4,6-Dichloro-2,5-bis-{[(dimethylamino)methylene]amino}pyrimidine
  • 171887-01-7
  • Abacavir Impurity 8
  • SCHEMBL5174526
  • SCHEMBL5182362
  • KTKOGYHDCBXJIS-UHFFFAOYSA-N
  • G87438
  • 2,5-bis{[(dimethylamino)methylene]amino}-4,6-dichloropyrimidine

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