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

C8H11IN2O2 — CID 66285982

IUPAC2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCC(C)c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C8H11IN2O2/c1-3-4(2)6-10-7(12)5(9)8(13)11-6/h4H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeySWKBOWMRQZZMEY-UHFFFAOYSA-N
MW294.09 g/mol
LogP1.59
Rot. Bonds2

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

2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 66285982) has the molecular formula C8H11IN2O2 and a molecular weight of 294.09 g/mol. Its IUPAC name is 2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID66285982
Molecular FormulaC8H11IN2O2
Molecular Weight294.09 g/mol
Exact Mass293.99
IUPAC Name2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCC(C)c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C8H11IN2O2/c1-3-4(2)6-10-7(12)5(9)8(13)11-6/h4H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeySWKBOWMRQZZMEY-UHFFFAOYSA-N
XLogP1.59
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 51.59
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 2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 66285982) is 2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one is CCC(C)c1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is SWKBOWMRQZZMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O2/c1-3-4(2)6-10-7(12)5(9)8(13)11-6/h4H,3H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 294.09 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66285982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).