4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one

C7H6F3IN2O2 — CID 79954887

IUPAC4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CCC(F)(F)F)nc(O)c1I
InChIInChI=1S/C7H6F3IN2O2/c8-7(9,10)2-1-3-12-5(14)4(11)6(15)13-3/h1-2H2,(H2,12,13,14,15)
InChIKeyWLYPCPZKYUHIOS-UHFFFAOYSA-N
MW334.04 g/mol
LogP1.58
Rot. Bonds2

About 4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one (PubChem CID 79954887) has the molecular formula C7H6F3IN2O2 and a molecular weight of 334.04 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
PubChem CID79954887
Molecular FormulaC7H6F3IN2O2
Molecular Weight334.04 g/mol
Exact Mass333.94
IUPAC Name4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CCC(F)(F)F)nc(O)c1I
InChIInChI=1S/C7H6F3IN2O2/c8-7(9,10)2-1-3-12-5(14)4(11)6(15)13-3/h1-2H2,(H2,12,13,14,15)
InChIKeyWLYPCPZKYUHIOS-UHFFFAOYSA-N
XLogP1.58
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 51.58
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-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one (CID 79954887) is 4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one is O=c1[nH]c(CCC(F)(F)F)nc(O)c1I.
What is the InChIKey of 4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one?
The InChIKey is WLYPCPZKYUHIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3IN2O2/c8-7(9,10)2-1-3-12-5(14)4(11)6(15)13-3/h1-2H2,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one has a molecular weight of 334.04 g/mol, XLogP of 1.58, 2 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-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79954887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).