2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

C6H8IN3O2 — CID 66286571

IUPAC2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCN(C)c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C6H8IN3O2/c1-10(2)6-8-4(11)3(7)5(12)9-6/h1-2H3,(H2,8,9,11,12)
InChIKeyLQTDYLKMCCFHNS-UHFFFAOYSA-N
MW281.05 g/mol
LogP0.15
Rot. Bonds1

About 2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 66286571) has the molecular formula C6H8IN3O2 and a molecular weight of 281.05 g/mol. Its IUPAC name is 2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID66286571
Molecular FormulaC6H8IN3O2
Molecular Weight281.05 g/mol
Exact Mass280.97
IUPAC Name2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCN(C)c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C6H8IN3O2/c1-10(2)6-8-4(11)3(7)5(12)9-6/h1-2H3,(H2,8,9,11,12)
InChIKeyLQTDYLKMCCFHNS-UHFFFAOYSA-N
XLogP0.15
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.05
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 66286571) is 2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is CN(C)c1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is LQTDYLKMCCFHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3O2/c1-10(2)6-8-4(11)3(7)5(12)9-6/h1-2H3,(H2,8,9,11,12).
What are the key properties of 2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 281.05 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66286571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).