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

C9H14N2O3 — CID 79617114

IUPAC5-ethyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(C)OC)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-4-6-8(12)10-7(5(2)14-3)11-9(6)13/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyGHTQQYVWEUUDRW-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.75
Rot. Bonds3

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

5-ethyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one (PubChem CID 79617114) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
PubChem CID79617114
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-ethyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(C)OC)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-4-6-8(12)10-7(5(2)14-3)11-9(6)13/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyGHTQQYVWEUUDRW-UHFFFAOYSA-N
XLogP0.75
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.75
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-(1-methoxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one (CID 79617114) is 5-ethyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one is CCc1c(O)nc(C(C)OC)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The InChIKey is GHTQQYVWEUUDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-6-8(12)10-7(5(2)14-3)11-9(6)13/h5H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 5-ethyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.75, 3 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-methoxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79617114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).