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

C11H18N2O3 — CID 116705679

IUPAC2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(C)c(=O)[nH]1)C(C)C
InChIInChI=1S/C11H18N2O3/c1-5-16-8(6(2)3)9-12-10(14)7(4)11(15)13-9/h6,8H,5H2,1-4H3,(H2,12,13,14,15)
InChIKeyNYUWJJCEMJEOSV-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.52
Rot. Bonds4

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

2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 116705679) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID116705679
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(C)c(=O)[nH]1)C(C)C
InChIInChI=1S/C11H18N2O3/c1-5-16-8(6(2)3)9-12-10(14)7(4)11(15)13-9/h6,8H,5H2,1-4H3,(H2,12,13,14,15)
InChIKeyNYUWJJCEMJEOSV-UHFFFAOYSA-N
XLogP1.52
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 113819704
2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997700
4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one
CID 63612104
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
4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612277
5-ethyl-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 63612450
5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612619
2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 64540875
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 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 116705679) is 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCOC(c1nc(O)c(C)c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is NYUWJJCEMJEOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-16-8(6(2)3)9-12-10(14)7(4)11(15)13-9/h6,8H,5H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116705679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).