6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one

C6H6IN3O — CID 54110025

IUPAC6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one
SMILESCC=Nc1[nH]c(=O)ncc1I
InChIInChI=1S/C6H6IN3O/c1-2-8-5-4(7)3-9-6(11)10-5/h2-3H,1H3,(H,9,10,11)
InChIKeyNGLBAQMOBGSKMJ-UHFFFAOYSA-N
MW263.04 g/mol
LogP1.10
Rot. Bonds1

About 6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one

6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one (PubChem CID 54110025) has the molecular formula C6H6IN3O and a molecular weight of 263.04 g/mol. Its IUPAC name is 6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one
PubChem CID54110025
Molecular FormulaC6H6IN3O
Molecular Weight263.04 g/mol
Exact Mass262.96
IUPAC Name6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one
SMILESCC=Nc1[nH]c(=O)ncc1I
InChIInChI=1S/C6H6IN3O/c1-2-8-5-4(7)3-9-6(11)10-5/h2-3H,1H3,(H,9,10,11)
InChIKeyNGLBAQMOBGSKMJ-UHFFFAOYSA-N
XLogP1.10
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.04
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one?
The IUPAC name of 6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one (CID 54110025) is 6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one?
The canonical SMILES for 6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one is CC=Nc1[nH]c(=O)ncc1I.
What is the InChIKey of 6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one?
The InChIKey is NGLBAQMOBGSKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6IN3O/c1-2-8-5-4(7)3-9-6(11)10-5/h2-3H,1H3,(H,9,10,11).
What are the key properties of 6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one?
6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one has a molecular weight of 263.04 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one is sourced from PubChem (CID 54110025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).