4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one

C11H6F3IN2O — CID 125492218

IUPAC4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc(I)cc2)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H6F3IN2O/c12-11(13,14)9-5-8(16-10(18)17-9)6-1-3-7(15)4-2-6/h1-5H,(H,16,17,18)
InChIKeyGDJWJRFWZXSAQM-UHFFFAOYSA-N
MW366.08 g/mol
LogP3.06
Rot. Bonds1

About 4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one

4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 125492218) has the molecular formula C11H6F3IN2O and a molecular weight of 366.08 g/mol. Its IUPAC name is 4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID125492218
Molecular FormulaC11H6F3IN2O
Molecular Weight366.08 g/mol
Exact Mass365.95
IUPAC Name4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc(I)cc2)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H6F3IN2O/c12-11(13,14)9-5-8(16-10(18)17-9)6-1-3-7(15)4-2-6/h1-5H,(H,16,17,18)
InChIKeyGDJWJRFWZXSAQM-UHFFFAOYSA-N
XLogP3.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one (CID 125492218) is 4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one is O=c1nc(-c2ccc(I)cc2)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is GDJWJRFWZXSAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3IN2O/c12-11(13,14)9-5-8(16-10(18)17-9)6-1-3-7(15)4-2-6/h1-5H,(H,16,17,18).
What are the key properties of 4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 366.08 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 125492218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).