1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione

C12H20N2O5 — CID 54019116

IUPAC1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCOCCn1c(O)cc(=O)n(CCOCC)c1=O
InChIInChI=1S/C12H20N2O5/c1-3-18-7-5-13-10(15)9-11(16)14(12(13)17)6-8-19-4-2/h9,15H,3-8H2,1-2H3
InChIKeyKXRLELZVLMZPBB-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.21
Rot. Bonds8

About 1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione

1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 54019116) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID54019116
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCOCCn1c(O)cc(=O)n(CCOCC)c1=O
InChIInChI=1S/C12H20N2O5/c1-3-18-7-5-13-10(15)9-11(16)14(12(13)17)6-8-19-4-2/h9,15H,3-8H2,1-2H3
InChIKeyKXRLELZVLMZPBB-UHFFFAOYSA-N
XLogP-0.21
TPSA82.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-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 1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione (CID 54019116) is 1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione is CCOCCn1c(O)cc(=O)n(CCOCC)c1=O.
What is the InChIKey of 1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is KXRLELZVLMZPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-3-18-7-5-13-10(15)9-11(16)14(12(13)17)6-8-19-4-2/h9,15H,3-8H2,1-2H3.
What are the key properties of 1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione?
1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 272.30 g/mol, XLogP of -0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-ethoxyethyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 54019116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).