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

C13H12FIN2O — CID 66314716

IUPAC2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)(c1ccc(F)cc1)c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C13H12FIN2O/c1-13(2,8-3-5-9(14)6-4-8)12-16-7-10(15)11(18)17-12/h3-7H,1-2H3,(H,16,17,18)
InChIKeyNRPQJDPDZKIFCB-UHFFFAOYSA-N
MW358.15 g/mol
LogP2.84
Rot. Bonds2

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

2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 66314716) has the molecular formula C13H12FIN2O and a molecular weight of 358.15 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one
PubChem CID66314716
Molecular FormulaC13H12FIN2O
Molecular Weight358.15 g/mol
Exact Mass358.00
IUPAC Name2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)(c1ccc(F)cc1)c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C13H12FIN2O/c1-13(2,8-3-5-9(14)6-4-8)12-16-7-10(15)11(18)17-12/h3-7H,1-2H3,(H,16,17,18)
InChIKeyNRPQJDPDZKIFCB-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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

2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one
CID 66317416
1-fluoro-4-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 22572271
2-(5-fluoro-2-methylphenyl)-5-iodo-1H-pyrimidin-6-one
CID 66317205
5-iodo-2-propan-2-yl-1H-pyrimidin-6-one
CID 60835497
2-[(3,5-difluorophenyl)methyl]-5-iodo-1H-pyrimidin-6-one
CID 66314507
5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 66313546
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83124710
2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide
CID 175560433
5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553934
[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine
CID 64770528
N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine
CID 64769555
4-chloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine
CID 64758151

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one (CID 66314716) is 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one is CC(C)(c1ccc(F)cc1)c1ncc(I)c(=O)[nH]1.
What is the InChIKey of 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is NRPQJDPDZKIFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FIN2O/c1-13(2,8-3-5-9(14)6-4-8)12-16-7-10(15)11(18)17-12/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one?
2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 358.15 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)propan-2-yl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66314716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).