3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one

C12H10FIN2O — CID 66342714

IUPAC3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1Cc1ccccc1F
InChIInChI=1S/C12H10FIN2O/c1-8-15-6-11(14)12(17)16(8)7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3
InChIKeyIOOWMPNYIYCYIR-UHFFFAOYSA-N
MW344.13 g/mol
LogP2.34
Rot. Bonds2

About 3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one

3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one (PubChem CID 66342714) has the molecular formula C12H10FIN2O and a molecular weight of 344.13 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
PubChem CID66342714
Molecular FormulaC12H10FIN2O
Molecular Weight344.13 g/mol
Exact Mass343.98
IUPAC Name3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1Cc1ccccc1F
InChIInChI=1S/C12H10FIN2O/c1-8-15-6-11(14)12(17)16(8)7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3
InChIKeyIOOWMPNYIYCYIR-UHFFFAOYSA-N
XLogP2.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-bromo-2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340919
3-[(2-fluoro-3-nitrophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 107348553
3-[[2-(ethylamino)-3-pyridinyl]methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342729
1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione
CID 79788186
N-(2-fluorophenyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66340046
1-[3-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173130
3-[(6-chloro-2-pyridinyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 79241250
5-iodo-2-methyl-3-[(1-phenylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 66342044
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodo-2-methylpyrimidin-4-one
CID 66342937
3-[(5-bromofuran-2-yl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66343172
3-[(5-chloropyrazin-2-yl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 103054602
3-[2-(4-fluoroanilino)ethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340508

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one (CID 66342714) is 3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one is Cc1ncc(I)c(=O)n1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one?
The InChIKey is IOOWMPNYIYCYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FIN2O/c1-8-15-6-11(14)12(17)16(8)7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one?
3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one has a molecular weight of 344.13 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one is sourced from PubChem (CID 66342714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).