4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O2 — CID 135501747

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CN(Cc2cc(=O)[nH]c(C(C)C)n2)CC(C)O1
InChIInChI=1S/C14H23N3O2/c1-9(2)14-15-12(5-13(18)16-14)8-17-6-10(3)19-11(4)7-17/h5,9-11H,6-8H2,1-4H3,(H,15,16,18)
InChIKeyWXXVPPOBKXRDER-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.50
Rot. Bonds3

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135501747) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135501747
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CN(Cc2cc(=O)[nH]c(C(C)C)n2)CC(C)O1
InChIInChI=1S/C14H23N3O2/c1-9(2)14-15-12(5-13(18)16-14)8-17-6-10(3)19-11(4)7-17/h5,9-11H,6-8H2,1-4H3,(H,15,16,18)
InChIKeyWXXVPPOBKXRDER-UHFFFAOYSA-N
XLogP1.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 135501747) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one is CC1CN(Cc2cc(=O)[nH]c(C(C)C)n2)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is WXXVPPOBKXRDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)14-15-12(5-13(18)16-14)8-17-6-10(3)19-11(4)7-17/h5,9-11H,6-8H2,1-4H3,(H,15,16,18).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135501747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).