5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one

C13H19N3O3 — CID 43502639

IUPAC5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCC(O)CC1
InChIInChI=1S/C13H19N3O3/c1-8-11(9(2)15-13(19)14-8)7-12(18)16-5-3-10(17)4-6-16/h10,17H,3-7H2,1-2H3,(H,14,15,19)
InChIKeyDVTKWFOJGMOHNV-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.09
Rot. Bonds2

About 5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one

5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (PubChem CID 43502639) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
PubChem CID43502639
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCC(O)CC1
InChIInChI=1S/C13H19N3O3/c1-8-11(9(2)15-13(19)14-8)7-12(18)16-5-3-10(17)4-6-16/h10,17H,3-7H2,1-2H3,(H,14,15,19)
InChIKeyDVTKWFOJGMOHNV-UHFFFAOYSA-N
XLogP-0.09
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 106167923
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)acetamide
CID 43393618
5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 43416397
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide
CID 43500358
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 43500431
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43501063
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxypropyl)acetamide
CID 43501149
5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 43502683
5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 43572874
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573554
N-cyclopropyl-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)acetamide
CID 43577145
5-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 43589553

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The IUPAC name of 5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (CID 43502639) is 5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1CC(=O)N1CCC(O)CC1.
What is the InChIKey of 5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The InChIKey is DVTKWFOJGMOHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-11(9(2)15-13(19)14-8)7-12(18)16-5-3-10(17)4-6-16/h10,17H,3-7H2,1-2H3,(H,14,15,19).
What are the key properties of 5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one has a molecular weight of 265.31 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 43502639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).