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

C14H21N3O3 — CID 43572874

IUPAC5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCCCC1CO
InChIInChI=1S/C14H21N3O3/c1-9-12(10(2)16-14(20)15-9)7-13(19)17-6-4-3-5-11(17)8-18/h11,18H,3-8H2,1-2H3,(H,15,16,20)
InChIKeyALMLCDPSJBIYKV-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.30
Rot. Bonds3

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

5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (PubChem CID 43572874) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
PubChem CID43572874
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCCCC1CO
InChIInChI=1S/C14H21N3O3/c1-9-12(10(2)16-14(20)15-9)7-13(19)17-6-4-3-5-11(17)8-18/h11,18H,3-8H2,1-2H3,(H,15,16,20)
InChIKeyALMLCDPSJBIYKV-UHFFFAOYSA-N
XLogP0.30
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid
CID 43171093
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 43392976
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-(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
5-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 43502639
5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 43502683
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
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 54878675

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The IUPAC name of 5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (CID 43572874) is 5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1CC(=O)N1CCCCC1CO.
What is the InChIKey of 5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The InChIKey is ALMLCDPSJBIYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-12(10(2)16-14(20)15-9)7-13(19)17-6-4-3-5-11(17)8-18/h11,18H,3-8H2,1-2H3,(H,15,16,20).
What are the key properties of 5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one has a molecular weight of 279.34 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 43572874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).