1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione

C10H12FIN2O5 — CID 67045394

IUPAC1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2COC(CO)C(O)C2F)cc1I
InChIInChI=1S/C10H12FIN2O5/c11-7-5(3-19-6(2-15)8(7)16)14-1-4(12)9(17)13-10(14)18/h1,5-8,15-16H,2-3H2,(H,13,17,18)
InChIKeyLQYNAWCFDPBUSS-UHFFFAOYSA-N
MW386.12 g/mol
LogP-1.23
Rot. Bonds2

About 1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione

1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione (PubChem CID 67045394) has the molecular formula C10H12FIN2O5 and a molecular weight of 386.12 g/mol. Its IUPAC name is 1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione
PubChem CID67045394
Molecular FormulaC10H12FIN2O5
Molecular Weight386.12 g/mol
Exact Mass385.98
IUPAC Name1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2COC(CO)C(O)C2F)cc1I
InChIInChI=1S/C10H12FIN2O5/c11-7-5(3-19-6(2-15)8(7)16)14-1-4(12)9(17)13-10(14)18/h1,5-8,15-16H,2-3H2,(H,13,17,18)
InChIKeyLQYNAWCFDPBUSS-UHFFFAOYSA-N
XLogP-1.23
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.12
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]-5-iodopyrimidine-2,4-dione
CID 18950462
sodium (2R,3R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-3-olate
CID 175677153
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 3001487
1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 46876101
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
CID 155579064
1-[(4S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 101108224
5-iodo-1-[(1S,4R,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
CID 70453049
1-[6-(hydroxymethyl)-1,4-oxathian-3-yl]-5-iodopyrimidine-2,4-dione
CID 70292582
1-[4-azido-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 170453432
1-[(2R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 163573079
5-bromo-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 5271380
1-[(2S,4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 166157772

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione?
The IUPAC name of 1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione (CID 67045394) is 1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione?
The canonical SMILES for 1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2COC(CO)C(O)C2F)cc1I.
What is the InChIKey of 1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione?
The InChIKey is LQYNAWCFDPBUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FIN2O5/c11-7-5(3-19-6(2-15)8(7)16)14-1-4(12)9(17)13-10(14)18/h1,5-8,15-16H,2-3H2,(H,13,17,18).
What are the key properties of 1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione?
1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione has a molecular weight of 386.12 g/mol, XLogP of -1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-iodopyrimidine-2,4-dione is sourced from PubChem (CID 67045394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).