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

C11H18N2O3 — CID 116745131

IUPAC5-ethyl-4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(C)(CC)OC)[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-5-7-8(14)12-10(13-9(7)15)11(3,6-2)16-4/h5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyIMOKZQRYAXDLKN-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.31
Rot. Bonds4

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

5-ethyl-4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one (PubChem CID 116745131) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
PubChem CID116745131
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name5-ethyl-4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(C)(CC)OC)[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-5-7-8(14)12-10(13-9(7)15)11(3,6-2)16-4/h5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyIMOKZQRYAXDLKN-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one (CID 116745131) is 5-ethyl-4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one is CCc1c(O)nc(C(C)(CC)OC)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is IMOKZQRYAXDLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-7-8(14)12-10(13-9(7)15)11(3,6-2)16-4/h5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 5-ethyl-4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.31, 4 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-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116745131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).