6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one

C16H23N3O3 — CID 97073638

IUPAC6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one
SMILESC[C@@H]1CN(C(=O)Cn2cnc(C3CCC3)cc2=O)C[C@@H](C)O1
InChIInChI=1S/C16H23N3O3/c1-11-7-18(8-12(2)22-11)16(21)9-19-10-17-14(6-15(19)20)13-4-3-5-13/h6,10-13H,3-5,7-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyLAMLENQIUACMRT-VXGBXAGGSA-N
MW305.38 g/mol
LogP1.15
Rot. Bonds3

About 6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one

6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 97073638) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one
PubChem CID97073638
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one
SMILESC[C@@H]1CN(C(=O)Cn2cnc(C3CCC3)cc2=O)C[C@@H](C)O1
InChIInChI=1S/C16H23N3O3/c1-11-7-18(8-12(2)22-11)16(21)9-19-10-17-14(6-15(19)20)13-4-3-5-13/h6,10-13H,3-5,7-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyLAMLENQIUACMRT-VXGBXAGGSA-N
XLogP1.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one (CID 97073638) is 6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one is C[C@@H]1CN(C(=O)Cn2cnc(C3CCC3)cc2=O)C[C@@H](C)O1.
What is the InChIKey of 6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one?
The InChIKey is LAMLENQIUACMRT-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-7-18(8-12(2)22-11)16(21)9-19-10-17-14(6-15(19)20)13-4-3-5-13/h6,10-13H,3-5,7-9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one?
6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 305.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 97073638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).