1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione

C8H11FN2O5 — CID 12802671

IUPAC1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione
SMILESCOC(C(O)CO)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O5/c1-16-7(5(13)3-12)11-2-4(9)6(14)10-8(11)15/h2,5,7,12-13H,3H2,1H3,(H,10,14,15)
InChIKeyDXDMOXKULGKSSO-UHFFFAOYSA-N
MW234.18 g/mol
LogP-1.83
Rot. Bonds4

About 1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione

1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 12802671) has the molecular formula C8H11FN2O5 and a molecular weight of 234.18 g/mol. Its IUPAC name is 1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione
PubChem CID12802671
Molecular FormulaC8H11FN2O5
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC Name1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione
SMILESCOC(C(O)CO)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O5/c1-16-7(5(13)3-12)11-2-4(9)6(14)10-8(11)15/h2,5,7,12-13H,3H2,1H3,(H,10,14,15)
InChIKeyDXDMOXKULGKSSO-UHFFFAOYSA-N
XLogP-1.83
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Doxifluridine
CID 18343
1-[(2S,3S,4R,5S)-3,4-Dihydroxy-5-methyltetrahydrofuran-2-YL]-5-fluoropyrimidine-2,4(1H,3H)-dione
CID 12798016
1-(3,4-Dihydroxy-5-methyl-2-oxolanyl)-5-fluoropyrimidine-2,4-dione
CID 3159
5-fluoro-1-[(3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 46874925
5-Fluoro-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrimidine-2,4-dione
CID 3010090
Lopac-F-8791
CID 688477
2R,3S-1-[1,3-Dihydroxy-4-fluoro-2-butoxy]methyl]uracil
CID 557677
2R,3s-1-[[1,3-Dihydroxy-4-fluoro-2-butoxy]methyl]thymine
CID 581104
2R,3s-1-[[1,3-Dihydroxy-4-fluoro-2-butoxy]methyl]-5-iodouracil
CID 617215
trans-1-(3-Hydroxy-2-tetrahydrofuranyl)-5-fluorouracil
CID 12534502
1-[(1,3-Dihydroxy-2-propoxy)methyl]-5-methyluracil
CID 3010089
1-((2R,3S,4S,5R)-3,4-Dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoropyrimidine-2,4(1H,3H)-dione
CID 7048664

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione (CID 12802671) is 1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione is COC(C(O)CO)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is DXDMOXKULGKSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O5/c1-16-7(5(13)3-12)11-2-4(9)6(14)10-8(11)15/h2,5,7,12-13H,3H2,1H3,(H,10,14,15).
What are the key properties of 1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione?
1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 234.18 g/mol, XLogP of -1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxy-1-methoxypropyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 12802671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).