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

C11H17N3O3 — CID 79077583

IUPAC5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CN(C)CCO2)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-3-7-10(15)12-9(13-11(7)16)8-6-14(2)4-5-17-8/h8H,3-6H2,1-2H3,(H2,12,13,15,16)
InChIKeyYPCKPBYKXYULNV-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.04
Rot. Bonds2

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

5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 79077583) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID79077583
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CN(C)CCO2)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-3-7-10(15)12-9(13-11(7)16)8-6-14(2)4-5-17-8/h8H,3-6H2,1-2H3,(H2,12,13,15,16)
InChIKeyYPCKPBYKXYULNV-UHFFFAOYSA-N
XLogP0.04
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 79077583) is 5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one is CCc1c(O)nc(C2CN(C)CCO2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is YPCKPBYKXYULNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-7-10(15)12-9(13-11(7)16)8-6-14(2)4-5-17-8/h8H,3-6H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79077583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).