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

C11H18N2O3 — CID 63613288

IUPAC4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(CCC)c(=O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-3-5-8-10(14)12-9(13-11(8)15)7-16-6-4-2/h3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyHYAAKMSHOFWKJD-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.35
Rot. Bonds6

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

4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 63613288) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID63613288
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(CCC)c(=O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-3-5-8-10(14)12-9(13-11(8)15)7-16-6-4-2/h3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyHYAAKMSHOFWKJD-UHFFFAOYSA-N
XLogP1.35
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one (CID 63613288) is 4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one is CCCOCc1nc(O)c(CCC)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is HYAAKMSHOFWKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-5-8-10(14)12-9(13-11(8)15)7-16-6-4-2/h3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63613288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).