5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine

C7H6IN5S — CID 130826185

IUPAC5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine
SMILESIc1cnc(NCc2cnns2)nc1
InChIInChI=1S/C7H6IN5S/c8-5-1-9-7(10-2-5)11-3-6-4-12-13-14-6/h1-2,4H,3H2,(H,9,10,11)
InChIKeyJIUBARPCZVMTBS-UHFFFAOYSA-N
MW319.13 g/mol
LogP1.54
Rot. Bonds3

About 5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine

5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine (PubChem CID 130826185) has the molecular formula C7H6IN5S and a molecular weight of 319.13 g/mol. Its IUPAC name is 5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine
PubChem CID130826185
Molecular FormulaC7H6IN5S
Molecular Weight319.13 g/mol
Exact Mass318.94
IUPAC Name5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine
SMILESIc1cnc(NCc2cnns2)nc1
InChIInChI=1S/C7H6IN5S/c8-5-1-9-7(10-2-5)11-3-6-4-12-13-14-6/h1-2,4H,3H2,(H,9,10,11)
InChIKeyJIUBARPCZVMTBS-UHFFFAOYSA-N
XLogP1.54
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 51.54
H-Bond Donors ≤ 51
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 5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine (CID 130826185) is 5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine is Ic1cnc(NCc2cnns2)nc1.
What is the InChIKey of 5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine?
The InChIKey is JIUBARPCZVMTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN5S/c8-5-1-9-7(10-2-5)11-3-6-4-12-13-14-6/h1-2,4H,3H2,(H,9,10,11).
What are the key properties of 5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine?
5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine has a molecular weight of 319.13 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 130826185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).