3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one

C10H13N3O3 — CID 115679457

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESO=C(Cn1cnccc1=O)N1CCOCC1
InChIInChI=1S/C10H13N3O3/c14-9-1-2-11-8-13(9)7-10(15)12-3-5-16-6-4-12/h1-2,8H,3-7H2
InChIKeyIOMOEBMZDUMYPA-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.90
Rot. Bonds2

About 3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one

3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (PubChem CID 115679457) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
PubChem CID115679457
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESO=C(Cn1cnccc1=O)N1CCOCC1
InChIInChI=1S/C10H13N3O3/c14-9-1-2-11-8-13(9)7-10(15)12-3-5-16-6-4-12/h1-2,8H,3-7H2
InChIKeyIOMOEBMZDUMYPA-UHFFFAOYSA-N
XLogP-0.90
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (CID 115679457) is 3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one is O=C(Cn1cnccc1=O)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The InChIKey is IOMOEBMZDUMYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-1-2-11-8-13(9)7-10(15)12-3-5-16-6-4-12/h1-2,8H,3-7H2.
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one has a molecular weight of 223.23 g/mol, XLogP of -0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one is sourced from PubChem (CID 115679457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).