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

C8H12IN3O — CID 66316787

IUPAC2-(diethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC)c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C8H12IN3O/c1-3-12(4-2)8-10-5-6(9)7(13)11-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyPTRWBVYOMXFNBI-UHFFFAOYSA-N
MW293.11 g/mol
LogP1.22
Rot. Bonds3

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

2-(diethylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 66316787) has the molecular formula C8H12IN3O and a molecular weight of 293.11 g/mol. Its IUPAC name is 2-(diethylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(diethylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID66316787
Molecular FormulaC8H12IN3O
Molecular Weight293.11 g/mol
Exact Mass293.00
IUPAC Name2-(diethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC)c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C8H12IN3O/c1-3-12(4-2)8-10-5-6(9)7(13)11-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyPTRWBVYOMXFNBI-UHFFFAOYSA-N
XLogP1.22
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 51.22
H-Bond Donors ≤ 51
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 2-(diethylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(diethylamino)-5-iodo-1H-pyrimidin-6-one (CID 66316787) is 2-(diethylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(diethylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(diethylamino)-5-iodo-1H-pyrimidin-6-one is CCN(CC)c1ncc(I)c(=O)[nH]1.
What is the InChIKey of 2-(diethylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PTRWBVYOMXFNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O/c1-3-12(4-2)8-10-5-6(9)7(13)11-8/h5H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 2-(diethylamino)-5-iodo-1H-pyrimidin-6-one?
2-(diethylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 293.11 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66316787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).