2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C10H16N2O4 — CID 135153929

IUPAC2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(OCC)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O4/c1-4-15-10(16-5-2)7-11-8(13)6(3)9(14)12-7/h10H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeySCNPLSKDIJZABE-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.86
Rot. Bonds5

About 2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 135153929) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID135153929
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(OCC)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O4/c1-4-15-10(16-5-2)7-11-8(13)6(3)9(14)12-7/h10H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeySCNPLSKDIJZABE-UHFFFAOYSA-N
XLogP0.86
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one 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 2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 135153929) is 2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCOC(OCC)c1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is SCNPLSKDIJZABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-4-15-10(16-5-2)7-11-8(13)6(3)9(14)12-7/h10H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 228.25 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135153929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).