5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one

C11H18N2O3 — CID 116705691

IUPAC5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-4-6-8(16-3)9-12-10(14)7(5-2)11(15)13-9/h8H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyPAVKASZAXOWFRK-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.53
Rot. Bonds5

About 5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one (PubChem CID 116705691) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
PubChem CID116705691
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-4-6-8(16-3)9-12-10(14)7(5-2)11(15)13-9/h8H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyPAVKASZAXOWFRK-UHFFFAOYSA-N
XLogP1.53
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734493
4-hydroxy-2-(methoxymethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611277
4-hydroxy-5-propan-2-yl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63611442
5-ethyl-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 63612450
5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612619
4-hydroxy-2-(2-methoxyethyl)-5-propyl-1H-pyrimidin-6-one
CID 63612956
4-hydroxy-2-(methoxymethyl)-5-propyl-1H-pyrimidin-6-one
CID 63613286
4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one
CID 63613288
5-ethyl-4-hydroxy-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 63613615
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876
2-(1-ethoxyethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 64540877
2-(1-ethoxyethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 64540878

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one (CID 116705691) is 5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one is CCCC(OC)c1nc(O)c(CC)c(=O)[nH]1.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The InChIKey is PAVKASZAXOWFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-6-8(16-3)9-12-10(14)7(5-2)11(15)13-9/h8H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).