4-(ethylamino)-5-iodo-1H-pyrimidin-6-one

C6H8IN3O — CID 136914103

IUPAC4-(ethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C6H8IN3O/c1-2-8-5-4(7)6(11)10-3-9-5/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyFGDVAUQMXVZOGO-UHFFFAOYSA-N
MW265.05 g/mol
LogP0.81
Rot. Bonds2

About 4-(ethylamino)-5-iodo-1H-pyrimidin-6-one

4-(ethylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136914103) has the molecular formula C6H8IN3O and a molecular weight of 265.05 g/mol. Its IUPAC name is 4-(ethylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(ethylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136914103
Molecular FormulaC6H8IN3O
Molecular Weight265.05 g/mol
Exact Mass264.97
IUPAC Name4-(ethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C6H8IN3O/c1-2-8-5-4(7)6(11)10-3-9-5/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeyFGDVAUQMXVZOGO-UHFFFAOYSA-N
XLogP0.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(ethylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(ethylamino)-5-iodo-1H-pyrimidin-6-one (CID 136914103) is 4-(ethylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(ethylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(ethylamino)-5-iodo-1H-pyrimidin-6-one is CCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(ethylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is FGDVAUQMXVZOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3O/c1-2-8-5-4(7)6(11)10-3-9-5/h3H,2H2,1H3,(H2,8,9,10,11).
What are the key properties of 4-(ethylamino)-5-iodo-1H-pyrimidin-6-one?
4-(ethylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 265.05 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136914103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).