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

C12H20N2O3 — CID 116705690

IUPAC2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(CC)c(=O)[nH]1)C(C)C
InChIInChI=1S/C12H20N2O3/c1-5-8-11(15)13-10(14-12(8)16)9(7(3)4)17-6-2/h7,9H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyXZKVOCQPKSDETC-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.77
Rot. Bonds5

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

2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116705690) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116705690
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(CC)c(=O)[nH]1)C(C)C
InChIInChI=1S/C12H20N2O3/c1-5-8-11(15)13-10(14-12(8)16)9(7(3)4)17-6-2/h7,9H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyXZKVOCQPKSDETC-UHFFFAOYSA-N
XLogP1.77
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 116705690) is 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCOC(c1nc(O)c(CC)c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is XZKVOCQPKSDETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-8-11(15)13-10(14-12(8)16)9(7(3)4)17-6-2/h7,9H,5-6H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 240.30 g/mol, XLogP of 1.77, 5 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)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116705690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).