5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione

C10H10N2O4 — CID 156803847

IUPAC5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESC#Cc1cn(C2CC[C@@H](O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N2O4/c1-2-6-5-12(10(15)11-9(6)14)7-3-4-8(13)16-7/h1,5,7-8,13H,3-4H2,(H,11,14,15)/t7?,8-/m0/s1
InChIKeyNRCLGGVPUHJYCW-MQWKRIRWSA-N
MW222.20 g/mol
LogP-0.85
Rot. Bonds1

About 5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione

5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 156803847) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID156803847
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESC#Cc1cn(C2CC[C@@H](O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N2O4/c1-2-6-5-12(10(15)11-9(6)14)7-3-4-8(13)16-7/h1,5,7-8,13H,3-4H2,(H,11,14,15)/t7?,8-/m0/s1
InChIKeyNRCLGGVPUHJYCW-MQWKRIRWSA-N
XLogP-0.85
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 153342171
CID 153342045
CID 153342045
5-ethynyl-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 87523895
5-ethynyl-1-[(2R,5S)-5-(propoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 89212593
[[5-(5-ethynyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-dihydroxymethyl] 2-aminoacetate;propane
CID 171528611
[(2S,5S)-5-(5-ethynyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl cyclopropanecarboxylate
CID 57300257
CID 156804258
CID 156804258
5-ethynyl-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
CID 18458152
5-ethynyl-1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
CID 5270497
5-ethynyl-1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
CID 87523760
5-ethynyl-1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-iodooxolan-2-yl]pyrimidine-2,4-dione
CID 87409650
5-ethynyl-1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 178033563

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione (CID 156803847) is 5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione is C#Cc1cn(C2CC[C@@H](O)O2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is NRCLGGVPUHJYCW-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-2-6-5-12(10(15)11-9(6)14)7-3-4-8(13)16-7/h1,5,7-8,13H,3-4H2,(H,11,14,15)/t7?,8-/m0/s1.
What are the key properties of 5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 222.20 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-1-[(5S)-5-hydroxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 156803847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).