3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one

C10H16N2O5 — CID 123889381

IUPAC3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one
SMILESCOC1C(O)C(CO)OC1N1C=CC(=O)NC1
InChIInChI=1S/C10H16N2O5/c1-16-9-8(15)6(4-13)17-10(9)12-3-2-7(14)11-5-12/h2-3,6,8-10,13,15H,4-5H2,1H3,(H,11,14)
InChIKeyHRCRGWRDOWBYMI-UHFFFAOYSA-N
MW244.25 g/mol
LogP-2.02
Rot. Bonds3

About 3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one

3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one (PubChem CID 123889381) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one
PubChem CID123889381
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one
SMILESCOC1C(O)C(CO)OC1N1C=CC(=O)NC1
InChIInChI=1S/C10H16N2O5/c1-16-9-8(15)6(4-13)17-10(9)12-3-2-7(14)11-5-12/h2-3,6,8-10,13,15H,4-5H2,1H3,(H,11,14)
InChIKeyHRCRGWRDOWBYMI-UHFFFAOYSA-N
XLogP-2.02
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,2-dicarboxyethyl)-4-methoxy-5-(6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-3-yl]oxy-oxo-sulfanylphosphanium
CID 123326675
3-[4-hydroxy-5-(hydroxymethyl)-3-(2-methoxycyclopentyl)oxyoxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
CID 90955397
methyl 2-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
CID 118370248
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
5-bromo-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 66760234
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67450466
2-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
CID 14776496
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 57300571
1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 123814286
4-amino-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3,5-triazin-2-one
CID 77227669
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67175693
9-[(2S,3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one
CID 136716934

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one?
The IUPAC name of 3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one (CID 123889381) is 3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one is COC1C(O)C(CO)OC1N1C=CC(=O)NC1.
What is the InChIKey of 3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one?
The InChIKey is HRCRGWRDOWBYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-16-9-8(15)6(4-13)17-10(9)12-3-2-7(14)11-5-12/h2-3,6,8-10,13,15H,4-5H2,1H3,(H,11,14).
What are the key properties of 3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one?
3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one has a molecular weight of 244.25 g/mol, XLogP of -2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 123889381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).