2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one

C12H18N2O6 — CID 118149133

IUPAC2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one
SMILESCCOc1nc(=O)ccn1[C@@H]1O[C@H](CO)[C@H](O)C1OC
InChIInChI=1S/C12H18N2O6/c1-3-19-12-13-8(16)4-5-14(12)11-10(18-2)9(17)7(6-15)20-11/h4-5,7,9-11,15,17H,3,6H2,1-2H3/t7-,9+,10?,11-/m1/s1
InChIKeyNZNRDRCBHUXJKX-UPCPIJHOSA-N
MW286.28 g/mol
LogP-1.09
Rot. Bonds5

About 2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one

2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one (PubChem CID 118149133) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one
PubChem CID118149133
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one
SMILESCCOc1nc(=O)ccn1[C@@H]1O[C@H](CO)[C@H](O)C1OC
InChIInChI=1S/C12H18N2O6/c1-3-19-12-13-8(16)4-5-14(12)11-10(18-2)9(17)7(6-15)20-11/h4-5,7,9-11,15,17H,3,6H2,1-2H3/t7-,9+,10?,11-/m1/s1
InChIKeyNZNRDRCBHUXJKX-UPCPIJHOSA-N
XLogP-1.09
TPSA103.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one with MolForge

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Related Compounds

2-ethoxy-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one
CID 123221779
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 57300571
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67175693
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
5-bromo-2-ethoxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidin-4-one
CID 10992555
4-amino-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,3,5-triazin-2-one
CID 77227669
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67450466
3-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,8,11-pentaen-10-one
CID 135477941
4-amino-5-chloro-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 162660228
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2-oxopyrimidine-5-carbaldehyde
CID 137355465
[(2R,3R,4R,5R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate
CID 101011047
4-amino-1-[3-[ethyl(dimethyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10404320

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one?
The IUPAC name of 2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one (CID 118149133) is 2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one.
What is the SMILES notation for 2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one?
The canonical SMILES for 2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one is CCOc1nc(=O)ccn1[C@@H]1O[C@H](CO)[C@H](O)C1OC.
What is the InChIKey of 2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one?
The InChIKey is NZNRDRCBHUXJKX-UPCPIJHOSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-3-19-12-13-8(16)4-5-14(12)11-10(18-2)9(17)7(6-15)20-11/h4-5,7,9-11,15,17H,3,6H2,1-2H3/t7-,9+,10?,11-/m1/s1.
What are the key properties of 2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one?
2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one has a molecular weight of 286.28 g/mol, XLogP of -1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one is sourced from PubChem (CID 118149133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).