2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one

C12H19N3O3 — CID 136783252

IUPAC2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC(C)OC(CO)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-3-10-13-11(4-12(17)14-10)15-5-8(2)18-9(6-15)7-16/h4,8-9,16H,3,5-7H2,1-2H3,(H,13,14,17)
InChIKeyVQIGJSBUHPMQDP-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.08
Rot. Bonds3

About 2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one

2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136783252) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID136783252
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC(C)OC(CO)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-3-10-13-11(4-12(17)14-10)15-5-8(2)18-9(6-15)7-16/h4,8-9,16H,3,5-7H2,1-2H3,(H,13,14,17)
InChIKeyVQIGJSBUHPMQDP-UHFFFAOYSA-N
XLogP-0.08
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one (CID 136783252) is 2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one is CCc1nc(N2CC(C)OC(CO)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is VQIGJSBUHPMQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-10-13-11(4-12(17)14-10)15-5-8(2)18-9(6-15)7-16/h4,8-9,16H,3,5-7H2,1-2H3,(H,13,14,17).
What are the key properties of 2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136783252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).