5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

C9H10N2O4 — CID 6482279

IUPAC5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
SMILESC#Cc1cn(COCCO)c(=O)[nH]c1=O
InChIInChI=1S/C9H10N2O4/c1-2-7-5-11(6-15-4-3-12)9(14)10-8(7)13/h1,5,12H,3-4,6H2,(H,10,13,14)
InChIKeyWAXIUEZBEULFPU-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.52
Rot. Bonds4

About 5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione (PubChem CID 6482279) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
PubChem CID6482279
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
SMILESC#Cc1cn(COCCO)c(=O)[nH]c1=O
InChIInChI=1S/C9H10N2O4/c1-2-7-5-11(6-15-4-3-12)9(14)10-8(7)13/h1,5,12H,3-4,6H2,(H,10,13,14)
InChIKeyWAXIUEZBEULFPU-UHFFFAOYSA-N
XLogP-1.52
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione (CID 6482279) is 5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione is C#Cc1cn(COCCO)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is WAXIUEZBEULFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-2-7-5-11(6-15-4-3-12)9(14)10-8(7)13/h1,5,12H,3-4,6H2,(H,10,13,14).
What are the key properties of 5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 210.19 g/mol, XLogP of -1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 6482279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).