4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine

C5H2I2N6 — CID 138748461

IUPAC4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine
SMILESIc1ncncc1-c1nnnn1I
InChIInChI=1S/C5H2I2N6/c6-4-3(1-8-2-9-4)5-10-11-12-13(5)7/h1-2H
InChIKeyCKJYZBZDTLXHMJ-UHFFFAOYSA-N
MW399.92 g/mol
LogP0.93
Rot. Bonds1

About 4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine

4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine (PubChem CID 138748461) has the molecular formula C5H2I2N6 and a molecular weight of 399.92 g/mol. Its IUPAC name is 4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine
PubChem CID138748461
Molecular FormulaC5H2I2N6
Molecular Weight399.92 g/mol
Exact Mass399.84
IUPAC Name4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine
SMILESIc1ncncc1-c1nnnn1I
InChIInChI=1S/C5H2I2N6/c6-4-3(1-8-2-9-4)5-10-11-12-13(5)7/h1-2H
InChIKeyCKJYZBZDTLXHMJ-UHFFFAOYSA-N
XLogP0.93
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine?
The IUPAC name of 4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine (CID 138748461) is 4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine.
What is the SMILES notation for 4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine?
The canonical SMILES for 4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine is Ic1ncncc1-c1nnnn1I.
What is the InChIKey of 4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine?
The InChIKey is CKJYZBZDTLXHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2I2N6/c6-4-3(1-8-2-9-4)5-10-11-12-13(5)7/h1-2H.
What are the key properties of 4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine?
4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine has a molecular weight of 399.92 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine is sourced from PubChem (CID 138748461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).