2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C11H18N2O3 — CID 116745116

IUPAC2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(C)(CC)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-5-11(4,16-6-2)10-12-8(14)7(3)9(15)13-10/h5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyZQOUUOCNKCZLSK-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.45
Rot. Bonds4

About 2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 116745116) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID116745116
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(C)(CC)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-5-11(4,16-6-2)10-12-8(14)7(3)9(15)13-10/h5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyZQOUUOCNKCZLSK-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 116745116) is 2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCOC(C)(CC)c1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is ZQOUUOCNKCZLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-11(4,16-6-2)10-12-8(14)7(3)9(15)13-10/h5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).