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

C8H12N2O5 — CID 11680111

IUPAC1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCCO)cc1CO
InChIInChI=1S/C8H12N2O5/c11-1-2-15-5-10-3-6(4-12)7(13)9-8(10)14/h3,11-12H,1-2,4-5H2,(H,9,13,14)
InChIKeyMILMKFIKXFVBMF-UHFFFAOYSA-N
MW216.19 g/mol
LogP-2.00
Rot. Bonds5

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

1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione (PubChem CID 11680111) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is 1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione
PubChem CID11680111
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCCO)cc1CO
InChIInChI=1S/C8H12N2O5/c11-1-2-15-5-10-3-6(4-12)7(13)9-8(10)14/h3,11-12H,1-2,4-5H2,(H,9,13,14)
InChIKeyMILMKFIKXFVBMF-UHFFFAOYSA-N
XLogP-2.00
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione (CID 11680111) is 1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(COCCO)cc1CO.
What is the InChIKey of 1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione?
The InChIKey is MILMKFIKXFVBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c11-1-2-15-5-10-3-6(4-12)7(13)9-8(10)14/h3,11-12H,1-2,4-5H2,(H,9,13,14).
What are the key properties of 1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione?
1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione has a molecular weight of 216.19 g/mol, XLogP of -2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11680111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).