1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one

C11H17N3O2 — CID 116618394

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
SMILESCCN1CCOC(Cn2cccnc2=O)C1
InChIInChI=1S/C11H17N3O2/c1-2-13-6-7-16-10(8-13)9-14-5-3-4-12-11(14)15/h3-5,10H,2,6-9H2,1H3
InChIKeyXMBLHEOJIVRMKG-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.04
Rot. Bonds3

About 1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one

1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one (PubChem CID 116618394) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
PubChem CID116618394
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
SMILESCCN1CCOC(Cn2cccnc2=O)C1
InChIInChI=1S/C11H17N3O2/c1-2-13-6-7-16-10(8-13)9-14-5-3-4-12-11(14)15/h3-5,10H,2,6-9H2,1H3
InChIKeyXMBLHEOJIVRMKG-UHFFFAOYSA-N
XLogP-0.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one (CID 116618394) is 1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one is CCN1CCOC(Cn2cccnc2=O)C1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one?
The InChIKey is XMBLHEOJIVRMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-13-6-7-16-10(8-13)9-14-5-3-4-12-11(14)15/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one?
1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one has a molecular weight of 223.28 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 116618394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).