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

C6H8IN3O — CID 66314715

IUPAC2-(dimethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCN(C)c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C6H8IN3O/c1-10(2)6-8-3-4(7)5(11)9-6/h3H,1-2H3,(H,8,9,11)
InChIKeyPYBPQNXMSBDWRF-UHFFFAOYSA-N
MW265.05 g/mol
LogP0.44
Rot. Bonds1

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

2-(dimethylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 66314715) has the molecular formula C6H8IN3O and a molecular weight of 265.05 g/mol. Its IUPAC name is 2-(dimethylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID66314715
Molecular FormulaC6H8IN3O
Molecular Weight265.05 g/mol
Exact Mass264.97
IUPAC Name2-(dimethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCN(C)c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C6H8IN3O/c1-10(2)6-8-3-4(7)5(11)9-6/h3H,1-2H3,(H,8,9,11)
InChIKeyPYBPQNXMSBDWRF-UHFFFAOYSA-N
XLogP0.44
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 50.44
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-(dimethylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-5-iodo-1H-pyrimidin-6-one (CID 66314715) is 2-(dimethylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-5-iodo-1H-pyrimidin-6-one is CN(C)c1ncc(I)c(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PYBPQNXMSBDWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3O/c1-10(2)6-8-3-4(7)5(11)9-6/h3H,1-2H3,(H,8,9,11).
What are the key properties of 2-(dimethylamino)-5-iodo-1H-pyrimidin-6-one?
2-(dimethylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 265.05 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66314715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).