4,6-diazido-2,5-difluoropyrimidine

C4F2N8 — CID 12596725

IUPAC4,6-diazido-2,5-difluoropyrimidine
SMILES[N-]=[N+]=Nc1nc(F)nc(N=[N+]=[N-])c1F
InChIInChI=1S/C4F2N8/c5-1-2(11-13-7)9-4(6)10-3(1)12-14-8
InChIKeyTXQFKTJBRVIWDB-UHFFFAOYSA-N
MW198.10 g/mol
LogP2.64
Rot. Bonds2

About 4,6-diazido-2,5-difluoropyrimidine

4,6-diazido-2,5-difluoropyrimidine (PubChem CID 12596725) has the molecular formula C4F2N8 and a molecular weight of 198.10 g/mol. Its IUPAC name is 4,6-diazido-2,5-difluoropyrimidine.

Molecular Properties

Compound Name4,6-diazido-2,5-difluoropyrimidine
PubChem CID12596725
Molecular FormulaC4F2N8
Molecular Weight198.10 g/mol
Exact Mass198.02
IUPAC Name4,6-diazido-2,5-difluoropyrimidine
SMILES[N-]=[N+]=Nc1nc(F)nc(N=[N+]=[N-])c1F
InChIInChI=1S/C4F2N8/c5-1-2(11-13-7)9-4(6)10-3(1)12-14-8
InChIKeyTXQFKTJBRVIWDB-UHFFFAOYSA-N
XLogP2.64
TPSA123.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-diazido-2,5-difluoropyrimidine?
The IUPAC name of 4,6-diazido-2,5-difluoropyrimidine (CID 12596725) is 4,6-diazido-2,5-difluoropyrimidine.
What is the SMILES notation for 4,6-diazido-2,5-difluoropyrimidine?
The canonical SMILES for 4,6-diazido-2,5-difluoropyrimidine is [N-]=[N+]=Nc1nc(F)nc(N=[N+]=[N-])c1F.
What is the InChIKey of 4,6-diazido-2,5-difluoropyrimidine?
The InChIKey is TXQFKTJBRVIWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F2N8/c5-1-2(11-13-7)9-4(6)10-3(1)12-14-8.
What are the key properties of 4,6-diazido-2,5-difluoropyrimidine?
4,6-diazido-2,5-difluoropyrimidine has a molecular weight of 198.10 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diazido-2,5-difluoropyrimidine is sourced from PubChem (CID 12596725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).