2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one

C18H23N3O2 — CID 893092

IUPAC2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1CCN1CCOCC1
InChIInChI=1S/C18H23N3O2/c1-14-17(16-6-4-3-5-7-16)18(22)19-15(2)21(14)9-8-20-10-12-23-13-11-20/h3-7H,8-13H2,1-2H3
InChIKeyLYSWBAQVWDLFKC-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.86
Rot. Bonds4

About 2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one

2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one (PubChem CID 893092) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one
PubChem CID893092
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1CCN1CCOCC1
InChIInChI=1S/C18H23N3O2/c1-14-17(16-6-4-3-5-7-16)18(22)19-15(2)21(14)9-8-20-10-12-23-13-11-20/h3-7H,8-13H2,1-2H3
InChIKeyLYSWBAQVWDLFKC-UHFFFAOYSA-N
XLogP1.86
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one (CID 893092) is 2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one is Cc1nc(=O)c(-c2ccccc2)c(C)n1CCN1CCOCC1.
What is the InChIKey of 2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one?
The InChIKey is LYSWBAQVWDLFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-17(16-6-4-3-5-7-16)18(22)19-15(2)21(14)9-8-20-10-12-23-13-11-20/h3-7H,8-13H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one?
2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one has a molecular weight of 313.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(2-morpholin-4-ylethyl)-5-phenylpyrimidin-4-one is sourced from PubChem (CID 893092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).