4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one

C10H13N3O2 — CID 90153793

IUPAC4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one
SMILESCC1COCC(=O)N1c1ccc(N)nc1
InChIInChI=1S/C10H13N3O2/c1-7-5-15-6-10(14)13(7)8-2-3-9(11)12-4-8/h2-4,7H,5-6H2,1H3,(H2,11,12)
InChIKeyLVOIWIXDMTVEJJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.42
Rot. Bonds1

About 4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one

4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one (PubChem CID 90153793) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one.

Molecular Properties

Compound Name4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one
PubChem CID90153793
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one
SMILESCC1COCC(=O)N1c1ccc(N)nc1
InChIInChI=1S/C10H13N3O2/c1-7-5-15-6-10(14)13(7)8-2-3-9(11)12-4-8/h2-4,7H,5-6H2,1H3,(H2,11,12)
InChIKeyLVOIWIXDMTVEJJ-UHFFFAOYSA-N
XLogP0.42
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one?
The IUPAC name of 4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one (CID 90153793) is 4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one.
What is the SMILES notation for 4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one?
The canonical SMILES for 4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one is CC1COCC(=O)N1c1ccc(N)nc1.
What is the InChIKey of 4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one?
The InChIKey is LVOIWIXDMTVEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-5-15-6-10(14)13(7)8-2-3-9(11)12-4-8/h2-4,7H,5-6H2,1H3,(H2,11,12).
What are the key properties of 4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one?
4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one has a molecular weight of 207.23 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-pyridinyl)-5-methylmorpholin-3-one is sourced from PubChem (CID 90153793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).