3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one

C11H16N2O3 — CID 174181238

IUPAC3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one
SMILESC=C1NC=CC(=O)N1[C@H]1CC(O)[C@@H](CC)O1
InChIInChI=1S/C11H16N2O3/c1-3-9-8(14)6-11(16-9)13-7(2)12-5-4-10(13)15/h4-5,8-9,11-12,14H,2-3,6H2,1H3/t8?,9-,11-/m1/s1
InChIKeyPMPSOYUFVMMBGR-HOGWDWRMSA-N
MW224.26 g/mol
LogP0.29
Rot. Bonds2

About 3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one

3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one (PubChem CID 174181238) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one
PubChem CID174181238
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one
SMILESC=C1NC=CC(=O)N1[C@H]1CC(O)[C@@H](CC)O1
InChIInChI=1S/C11H16N2O3/c1-3-9-8(14)6-11(16-9)13-7(2)12-5-4-10(13)15/h4-5,8-9,11-12,14H,2-3,6H2,1H3/t8?,9-,11-/m1/s1
InChIKeyPMPSOYUFVMMBGR-HOGWDWRMSA-N
XLogP0.29
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione
CID 174181276
2-hydroxy-3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-4-one
CID 177150363
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
(2R,3R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol
CID 162078505
(2R,5R)-5-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-2-ethyloxolan-3-ol
CID 157314502
5-[(E)-but-1-enyl]-1-(5-ethyl-4-hydroxyoxolan-2-yl)pyrimidine-2,4-dione
CID 20662327
1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,5S)-2-ethyl-5-propyloxolan-3-ol
CID 160597133
1-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,3R,5S)-2-ethyl-5-propyloxolan-3-ol
CID 160597134
(2R,3S)-2-ethyl-5-methyloxolan-3-ol
CID 174181244
4-amino-5-[(E)-2-cyclopropylethenyl]-1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 157479702
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 6990676

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one?
The IUPAC name of 3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one (CID 174181238) is 3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one?
The canonical SMILES for 3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one is C=C1NC=CC(=O)N1[C@H]1CC(O)[C@@H](CC)O1.
What is the InChIKey of 3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one?
The InChIKey is PMPSOYUFVMMBGR-HOGWDWRMSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-9-8(14)6-11(16-9)13-7(2)12-5-4-10(13)15/h4-5,8-9,11-12,14H,2-3,6H2,1H3/t8?,9-,11-/m1/s1.
What are the key properties of 3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one?
3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one has a molecular weight of 224.26 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-methylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 174181238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).