2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C13H20N2O3 — CID 136696205

IUPAC2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCCCC(OCC)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C13H20N2O3/c1-3-5-11(18-4-2)12-14-10-6-7-17-8-9(10)13(16)15-12/h11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyQIIXHZGZMPFEHH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.72
Rot. Bonds5

About 2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696205) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696205
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCCCC(OCC)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C13H20N2O3/c1-3-5-11(18-4-2)12-14-10-6-7-17-8-9(10)13(16)15-12/h11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyQIIXHZGZMPFEHH-UHFFFAOYSA-N
XLogP1.72
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,2,2-Trifluoroethoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696208
2-Methyl-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 135741851
2,5,7-trimethyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 136442752
2-[[[(2S)-oxolan-2-yl]methylamino]methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136627232
2-[(Oxolan-2-ylmethylamino)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136627234
(R)-2-(((tetrahydrofuran-2-yl)methylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627254
2-Butan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696218
2-Ethyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696292
Ethane;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917811
Ethane;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917824
2-(4-Methoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 149489962
2-Ethyl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 172272495

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696205) is 2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CCCC(OCC)c1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is QIIXHZGZMPFEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-5-11(18-4-2)12-14-10-6-7-17-8-9(10)13(16)15-12/h11H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 252.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).