1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione

C10H10FIN2O3 — CID 163416310

IUPAC1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2OC(CI)=CC2F)c(=O)[nH]c1=O
InChIInChI=1S/C10H10FIN2O3/c1-5-4-14(10(16)13-8(5)15)9-7(11)2-6(3-12)17-9/h2,4,7,9H,3H2,1H3,(H,13,15,16)/t7?,9-/m1/s1
InChIKeyAESGFDBFOBBELV-NHSZFOGYSA-N
MW352.10 g/mol
LogP1.03
Rot. Bonds2

About 1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 163416310) has the molecular formula C10H10FIN2O3 and a molecular weight of 352.10 g/mol. Its IUPAC name is 1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID163416310
Molecular FormulaC10H10FIN2O3
Molecular Weight352.10 g/mol
Exact Mass351.97
IUPAC Name1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2OC(CI)=CC2F)c(=O)[nH]c1=O
InChIInChI=1S/C10H10FIN2O3/c1-5-4-14(10(16)13-8(5)15)9-7(11)2-6(3-12)17-9/h2,4,7,9H,3H2,1H3,(H,13,15,16)/t7?,9-/m1/s1
InChIKeyAESGFDBFOBBELV-NHSZFOGYSA-N
XLogP1.03
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S,4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 166157772
1-[(2R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 163573079
chloromethane;1-[(3S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169190487
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7282395
1-[3,4-bis(hydroxymethyl)oxetan-2-yl]-5-methylpyrimidine-2,4-dione
CID 23353423
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6473775
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139024626
1-(3-fluoro-5-methylideneoxolan-2-yl)-5-methylpyrimidine-2,4-dione
CID 169190342
1-[(2R,3R,4S)-3-(fluoromethyl)-4-(hydroxymethyl)oxetan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22853695
1-[(2R,3S,4R,5R)-3-fluoro-5-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 170213773
1-[(2R,3S,4R,5S)-3-fluoro-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 134348918
1-[(2R,5S)-3-fluoro-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 147254506

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione (CID 163416310) is 1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2OC(CI)=CC2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is AESGFDBFOBBELV-NHSZFOGYSA-N. The full InChI is InChI=1S/C10H10FIN2O3/c1-5-4-14(10(16)13-8(5)15)9-7(11)2-6(3-12)17-9/h2,4,7,9H,3H2,1H3,(H,13,15,16)/t7?,9-/m1/s1.
What are the key properties of 1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 352.10 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-fluoro-5-(iodomethyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 163416310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).