5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one

C17H28N4O2 — CID 53200969

IUPAC5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one
SMILESCc1nc(N2CCCCC2)n(CCN2CCOCC2)c(=O)c1C
InChIInChI=1S/C17H28N4O2/c1-14-15(2)18-17(20-6-4-3-5-7-20)21(16(14)22)9-8-19-10-12-23-13-11-19/h3-13H2,1-2H3
InChIKeyWJZGWBKGXKECHM-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.18
Rot. Bonds4

About 5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one

5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one (PubChem CID 53200969) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one
PubChem CID53200969
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one
SMILESCc1nc(N2CCCCC2)n(CCN2CCOCC2)c(=O)c1C
InChIInChI=1S/C17H28N4O2/c1-14-15(2)18-17(20-6-4-3-5-7-20)21(16(14)22)9-8-19-10-12-23-13-11-19/h3-13H2,1-2H3
InChIKeyWJZGWBKGXKECHM-UHFFFAOYSA-N
XLogP1.18
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one (CID 53200969) is 5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one is Cc1nc(N2CCCCC2)n(CCN2CCOCC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one?
The InChIKey is WJZGWBKGXKECHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-14-15(2)18-17(20-6-4-3-5-7-20)21(16(14)22)9-8-19-10-12-23-13-11-19/h3-13H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one?
5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one has a molecular weight of 320.44 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2-morpholin-4-ylethyl)-2-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 53200969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).