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

C6H4F3IN2O2 — CID 66285575

IUPAC4-hydroxy-5-iodo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC(F)(F)F)nc(O)c1I
InChIInChI=1S/C6H4F3IN2O2/c7-6(8,9)1-2-11-4(13)3(10)5(14)12-2/h1H2,(H2,11,12,13,14)
InChIKeyNSCVLOTYZXVJPQ-UHFFFAOYSA-N
MW320.01 g/mol
LogP1.18
Rot. Bonds1

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

4-hydroxy-5-iodo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (PubChem CID 66285575) has the molecular formula C6H4F3IN2O2 and a molecular weight of 320.01 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
PubChem CID66285575
Molecular FormulaC6H4F3IN2O2
Molecular Weight320.01 g/mol
Exact Mass319.93
IUPAC Name4-hydroxy-5-iodo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC(F)(F)F)nc(O)c1I
InChIInChI=1S/C6H4F3IN2O2/c7-6(8,9)1-2-11-4(13)3(10)5(14)12-2/h1H2,(H2,11,12,13,14)
InChIKeyNSCVLOTYZXVJPQ-UHFFFAOYSA-N
XLogP1.18
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.01
LogP ≤ 51.18
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-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (CID 66285575) is 4-hydroxy-5-iodo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is O=c1[nH]c(CC(F)(F)F)nc(O)c1I.
What is the InChIKey of 4-hydroxy-5-iodo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is NSCVLOTYZXVJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3IN2O2/c7-6(8,9)1-2-11-4(13)3(10)5(14)12-2/h1H2,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-5-iodo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 320.01 g/mol, XLogP of 1.18, 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-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66285575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).