3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one

C7H6IN5OS — CID 66309314

IUPAC3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one
SMILESNc1snnc1Cn1cncc(I)c1=O
InChIInChI=1S/C7H6IN5OS/c8-4-1-10-3-13(7(4)14)2-5-6(9)15-12-11-5/h1,3H,2,9H2
InChIKeyPJOMRDKLPXPCCU-UHFFFAOYSA-N
MW335.13 g/mol
LogP0.33
Rot. Bonds2

About 3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one

3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one (PubChem CID 66309314) has the molecular formula C7H6IN5OS and a molecular weight of 335.13 g/mol. Its IUPAC name is 3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one
PubChem CID66309314
Molecular FormulaC7H6IN5OS
Molecular Weight335.13 g/mol
Exact Mass334.93
IUPAC Name3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one
SMILESNc1snnc1Cn1cncc(I)c1=O
InChIInChI=1S/C7H6IN5OS/c8-4-1-10-3-13(7(4)14)2-5-6(9)15-12-11-5/h1,3H,2,9H2
InChIKeyPJOMRDKLPXPCCU-UHFFFAOYSA-N
XLogP0.33
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-Aminothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 62193285
3-[[5-(Methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 63768516
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one
CID 63768862
3-[(5-Aminothiadiazol-4-yl)methyl]pyrimidin-4-one
CID 63770615
3-[(5-Aminothiadiazol-4-yl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66307780
3-[(5-Aminothiadiazol-4-yl)methyl]-5-bromopyrimidin-4-one
CID 66307892
3-[(5-Chlorothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one
CID 66308850
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-5-iodopyrimidin-4-one
CID 66309512
5-Iodo-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 66309513
5-Iodo-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 66309528
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one
CID 66309934
5-Bromo-3-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidin-4-one
CID 66310863

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one?
The IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one (CID 66309314) is 3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one?
The canonical SMILES for 3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one is Nc1snnc1Cn1cncc(I)c1=O.
What is the InChIKey of 3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one?
The InChIKey is PJOMRDKLPXPCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN5OS/c8-4-1-10-3-13(7(4)14)2-5-6(9)15-12-11-5/h1,3H,2,9H2.
What are the key properties of 3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one?
3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one has a molecular weight of 335.13 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one is sourced from PubChem (CID 66309314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).