1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione

C9H12FIN2O5 — CID 617215

IUPAC1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COC(CO)C(O)CF)cc1I
InChIInChI=1S/C9H12FIN2O5/c10-1-6(15)7(3-14)18-4-13-2-5(11)8(16)12-9(13)17/h2,6-7,14-15H,1,3-4H2,(H,12,16,17)
InChIKeyFUYVOHIGXOOBHX-UHFFFAOYSA-N
MW374.11 g/mol
LogP-1.19
Rot. Bonds6

About 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione

1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione (PubChem CID 617215) has the molecular formula C9H12FIN2O5 and a molecular weight of 374.11 g/mol. Its IUPAC name is 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione
PubChem CID617215
Molecular FormulaC9H12FIN2O5
Molecular Weight374.11 g/mol
Exact Mass373.98
IUPAC Name1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COC(CO)C(O)CF)cc1I
InChIInChI=1S/C9H12FIN2O5/c10-1-6(15)7(3-14)18-4-13-2-5(11)8(16)12-9(13)17/h2,6-7,14-15H,1,3-4H2,(H,12,16,17)
InChIKeyFUYVOHIGXOOBHX-UHFFFAOYSA-N
XLogP-1.19
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.11
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione?
The IUPAC name of 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione (CID 617215) is 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione is O=c1[nH]c(=O)n(COC(CO)C(O)CF)cc1I.
What is the InChIKey of 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione?
The InChIKey is FUYVOHIGXOOBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FIN2O5/c10-1-6(15)7(3-14)18-4-13-2-5(11)8(16)12-9(13)17/h2,6-7,14-15H,1,3-4H2,(H,12,16,17).
What are the key properties of 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione?
1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione has a molecular weight of 374.11 g/mol, XLogP of -1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-5-iodopyrimidine-2,4-dione is sourced from PubChem (CID 617215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).