2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one

C13H12N4O2 — CID 175206433

IUPAC2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one
SMILESO=C1NCCOC1(c1cccnc1)c1ccncn1
InChIInChI=1S/C13H12N4O2/c18-12-13(19-7-6-16-12,10-2-1-4-14-8-10)11-3-5-15-9-17-11/h1-5,8-9H,6-7H2,(H,16,18)
InChIKeyWIWUXVGBJGFNHF-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.26
Rot. Bonds2

About 2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one

2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one (PubChem CID 175206433) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one.

Molecular Properties

Compound Name2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one
PubChem CID175206433
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one
SMILESO=C1NCCOC1(c1cccnc1)c1ccncn1
InChIInChI=1S/C13H12N4O2/c18-12-13(19-7-6-16-12,10-2-1-4-14-8-10)11-3-5-15-9-17-11/h1-5,8-9H,6-7H2,(H,16,18)
InChIKeyWIWUXVGBJGFNHF-UHFFFAOYSA-N
XLogP0.26
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one?
The IUPAC name of 2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one (CID 175206433) is 2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one.
What is the SMILES notation for 2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one?
The canonical SMILES for 2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one is O=C1NCCOC1(c1cccnc1)c1ccncn1.
What is the InChIKey of 2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one?
The InChIKey is WIWUXVGBJGFNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-12-13(19-7-6-16-12,10-2-1-4-14-8-10)11-3-5-15-9-17-11/h1-5,8-9H,6-7H2,(H,16,18).
What are the key properties of 2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one?
2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one has a molecular weight of 256.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2-pyrimidin-4-ylmorpholin-3-one is sourced from PubChem (CID 175206433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).