4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one

C11H17N3O2 — CID 136957493

IUPAC4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCCC1CN(c2cc(=O)[nH]c(C)n2)CCO1
InChIInChI=1S/C11H17N3O2/c1-3-9-7-14(4-5-16-9)10-6-11(15)13-8(2)12-10/h6,9H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyIFNVWEXYUOOWLC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.69
Rot. Bonds2

About 4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one

4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957493) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136957493
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCCC1CN(c2cc(=O)[nH]c(C)n2)CCO1
InChIInChI=1S/C11H17N3O2/c1-3-9-7-14(4-5-16-9)10-6-11(15)13-8(2)12-10/h6,9H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyIFNVWEXYUOOWLC-UHFFFAOYSA-N
XLogP0.69
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one (CID 136957493) is 4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one is CCC1CN(c2cc(=O)[nH]c(C)n2)CCO1.
What is the InChIKey of 4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is IFNVWEXYUOOWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-9-7-14(4-5-16-9)10-6-11(15)13-8(2)12-10/h6,9H,3-5,7H2,1-2H3,(H,12,13,15).
What are the key properties of 4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one?
4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).