1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione

C15H22N2O6 — CID 58969828

IUPAC1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=CCCCOC1C(O)C(COC)OC1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H22N2O6/c1-3-4-5-8-22-13-12(19)10(9-21-2)23-14(13)17-7-6-11(18)16-15(17)20/h3,6-7,10,12-14,19H,1,4-5,8-9H2,2H3,(H,16,18,20)
InChIKeyFQXFLSGRLCCODT-UHFFFAOYSA-N
MW326.35 g/mol
LogP-0.21
Rot. Bonds8

About 1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione

1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 58969828) has the molecular formula C15H22N2O6 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID58969828
Molecular FormulaC15H22N2O6
Molecular Weight326.35 g/mol
Exact Mass326.15
IUPAC Name1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=CCCCOC1C(O)C(COC)OC1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H22N2O6/c1-3-4-5-8-22-13-12(19)10(9-21-2)23-14(13)17-7-6-11(18)16-15(17)20/h3,6-7,10,12-14,19H,1,4-5,8-9H2,2H3,(H,16,18,20)
InChIKeyFQXFLSGRLCCODT-UHFFFAOYSA-N
XLogP-0.21
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3R,4R,5R)-3-hex-5-enoxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 121487348
1-[(2S,5S)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57303965
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 68666642
1-[(2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 10660682
1-[(2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 100911070
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-prop-2-enoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 22875589
1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163625739
1-[5-(aminomethyl)-3-hexadecoxy-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 177181973
1-[3-heptoxy-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 20762853
methyl 16-[2-(2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxyhexadecanoate
CID 170222580
1-[(2R,3R,4R,5R)-3-(2-amino-3-methoxypropoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 140851962
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 58969828) is 1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione is C=CCCCOC1C(O)C(COC)OC1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is FQXFLSGRLCCODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6/c1-3-4-5-8-22-13-12(19)10(9-21-2)23-14(13)17-7-6-11(18)16-15(17)20/h3,6-7,10,12-14,19H,1,4-5,8-9H2,2H3,(H,16,18,20).
What are the key properties of 1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione?
1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 326.35 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-5-(methoxymethyl)-3-pent-4-enoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 58969828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).