4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one

C13H12FIN2O — CID 11717414

IUPAC4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1[nH]c(=O)nc(-c2ccc(F)cc2)c1I
InChIInChI=1S/C13H12FIN2O/c1-7(2)11-10(15)12(17-13(18)16-11)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,16,17,18)
InChIKeyJOIRMTASGAFDCY-UHFFFAOYSA-N
MW358.15 g/mol
LogP3.30
Rot. Bonds2

About 4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one

4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one (PubChem CID 11717414) has the molecular formula C13H12FIN2O and a molecular weight of 358.15 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one
PubChem CID11717414
Molecular FormulaC13H12FIN2O
Molecular Weight358.15 g/mol
Exact Mass358.00
IUPAC Name4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1[nH]c(=O)nc(-c2ccc(F)cc2)c1I
InChIInChI=1S/C13H12FIN2O/c1-7(2)11-10(15)12(17-13(18)16-11)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,16,17,18)
InChIKeyJOIRMTASGAFDCY-UHFFFAOYSA-N
XLogP3.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.15
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-Phenyl-6-(trifluoromethyl)pyrimidin-2-ol
CID 746778
6-Methyl-4-phenyl-1H-pyrimidin-2-one
CID 233401
5-(2,6-Difluorophenyl)-1,3-dihydrobenzimidazol-2-one
CID 155295265
US10611730, Example 54
CID 155295267
2-Oxo-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-1,2-dihydropyrimidine
CID 129738905
4-(Trifluoromethyl)-6-(4-iodophenyl)-pyrimidin-2(1h)-one
CID 125492218
6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one
CID 138980158
4-(Difluoromethyl)-6-(4-fluorophenyl)pyrimidin-2-ol
CID 119099159
5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one
CID 11601414
5-Bromo-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-ol
CID 11602037
4-(4-Fluorophenyl)-6-isopropylpyrimidin-2-ol
CID 11630019
4-(4-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 12079465

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one (CID 11717414) is 4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one is CC(C)c1[nH]c(=O)nc(-c2ccc(F)cc2)c1I.
What is the InChIKey of 4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one?
The InChIKey is JOIRMTASGAFDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FIN2O/c1-7(2)11-10(15)12(17-13(18)16-11)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one?
4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one has a molecular weight of 358.15 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 11717414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).