4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one

C12H18N2O3 — CID 63611434

IUPAC4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CC2CCCO2)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-2-4-9-11(15)13-10(14-12(9)16)7-8-5-3-6-17-8/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyTWHAIOFWTXMEEF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.15
Rot. Bonds4

About 4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one

4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 63611434) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID63611434
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CC2CCCO2)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-2-4-9-11(15)13-10(14-12(9)16)7-8-5-3-6-17-8/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyTWHAIOFWTXMEEF-UHFFFAOYSA-N
XLogP1.15
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-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 4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one (CID 63611434) is 4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(CC2CCCO2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is TWHAIOFWTXMEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-4-9-11(15)13-10(14-12(9)16)7-8-5-3-6-17-8/h8H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63611434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).