2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one

C11H17N3O2 — CID 91194580

IUPAC2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one
SMILESCc1nc(N2CCOCC2C)cc(=O)n1C
InChIInChI=1S/C11H17N3O2/c1-8-7-16-5-4-14(8)10-6-11(15)13(3)9(2)12-10/h6,8H,4-5,7H2,1-3H3
InChIKeyLOPWHPOKJIJGQG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.31
Rot. Bonds1

About 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one

2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one (PubChem CID 91194580) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one
PubChem CID91194580
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one
SMILESCc1nc(N2CCOCC2C)cc(=O)n1C
InChIInChI=1S/C11H17N3O2/c1-8-7-16-5-4-14(8)10-6-11(15)13(3)9(2)12-10/h6,8H,4-5,7H2,1-3H3
InChIKeyLOPWHPOKJIJGQG-UHFFFAOYSA-N
XLogP0.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one (CID 91194580) is 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one is Cc1nc(N2CCOCC2C)cc(=O)n1C.
What is the InChIKey of 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one?
The InChIKey is LOPWHPOKJIJGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-7-16-5-4-14(8)10-6-11(15)13(3)9(2)12-10/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one?
2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one has a molecular weight of 223.28 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one is sourced from PubChem (CID 91194580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).