4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one

C14H23N3O2 — CID 136883235

IUPAC4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN2CCCC(C)C2CO)n1
InChIInChI=1S/C14H23N3O2/c1-3-11-7-14(19)16-13(15-11)8-17-6-4-5-10(2)12(17)9-18/h7,10,12,18H,3-6,8-9H2,1-2H3,(H,15,16,19)
InChIKeyIYOXBKZPWPODJI-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.93
Rot. Bonds4

About 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one

4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one (PubChem CID 136883235) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one
PubChem CID136883235
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN2CCCC(C)C2CO)n1
InChIInChI=1S/C14H23N3O2/c1-3-11-7-14(19)16-13(15-11)8-17-6-4-5-10(2)12(17)9-18/h7,10,12,18H,3-6,8-9H2,1-2H3,(H,15,16,19)
InChIKeyIYOXBKZPWPODJI-UHFFFAOYSA-N
XLogP0.93
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one (CID 136883235) is 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(CN2CCCC(C)C2CO)n1.
What is the InChIKey of 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one?
The InChIKey is IYOXBKZPWPODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-11-7-14(19)16-13(15-11)8-17-6-4-5-10(2)12(17)9-18/h7,10,12,18H,3-6,8-9H2,1-2H3,(H,15,16,19).
What are the key properties of 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one?
4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136883235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).