4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one

C7H9IN2O2 — CID 66285783

IUPAC4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C7H9IN2O2/c1-3(2)5-9-6(11)4(8)7(12)10-5/h3H,1-2H3,(H2,9,10,11,12)
InChIKeyJUDBGPZZGYPCGN-UHFFFAOYSA-N
MW280.07 g/mol
LogP1.20
Rot. Bonds1

About 4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 66285783) has the molecular formula C7H9IN2O2 and a molecular weight of 280.07 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID66285783
Molecular FormulaC7H9IN2O2
Molecular Weight280.07 g/mol
Exact Mass279.97
IUPAC Name4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C7H9IN2O2/c1-3(2)5-9-6(11)4(8)7(12)10-5/h3H,1-2H3,(H2,9,10,11,12)
InChIKeyJUDBGPZZGYPCGN-UHFFFAOYSA-N
XLogP1.20
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 51.20
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-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one (CID 66285783) is 4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JUDBGPZZGYPCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-3(2)5-9-6(11)4(8)7(12)10-5/h3H,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 280.07 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 66285783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).