2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one

C16H19N3O2 — CID 72948579

IUPAC2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one
SMILESCc1cc(=O)n(-c2cccc(N3CCOCC3)c2)c(C)n1
InChIInChI=1S/C16H19N3O2/c1-12-10-16(20)19(13(2)17-12)15-5-3-4-14(11-15)18-6-8-21-9-7-18/h3-5,10-11H,6-9H2,1-2H3
InChIKeyOMXYZBBOMMHAFG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.69
Rot. Bonds2

About 2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one

2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one (PubChem CID 72948579) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one
PubChem CID72948579
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one
SMILESCc1cc(=O)n(-c2cccc(N3CCOCC3)c2)c(C)n1
InChIInChI=1S/C16H19N3O2/c1-12-10-16(20)19(13(2)17-12)15-5-3-4-14(11-15)18-6-8-21-9-7-18/h3-5,10-11H,6-9H2,1-2H3
InChIKeyOMXYZBBOMMHAFG-UHFFFAOYSA-N
XLogP1.69
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one (CID 72948579) is 2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one is Cc1cc(=O)n(-c2cccc(N3CCOCC3)c2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one?
The InChIKey is OMXYZBBOMMHAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-10-16(20)19(13(2)17-12)15-5-3-4-14(11-15)18-6-8-21-9-7-18/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one?
2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one has a molecular weight of 285.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one is sourced from PubChem (CID 72948579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).