1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone

C13H20N4O2 — CID 110269090

IUPAC1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCN(C)c1nccc(C2CCCN(C(=O)CO)C2)n1
InChIInChI=1S/C13H20N4O2/c1-16(2)13-14-6-5-11(15-13)10-4-3-7-17(8-10)12(19)9-18/h5-6,10,18H,3-4,7-9H2,1-2H3
InChIKeyOAAADLFHWYDLMO-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.24
Rot. Bonds3

About 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone

1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 110269090) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
PubChem CID110269090
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCN(C)c1nccc(C2CCCN(C(=O)CO)C2)n1
InChIInChI=1S/C13H20N4O2/c1-16(2)13-14-6-5-11(15-13)10-4-3-7-17(8-10)12(19)9-18/h5-6,10,18H,3-4,7-9H2,1-2H3
InChIKeyOAAADLFHWYDLMO-UHFFFAOYSA-N
XLogP0.24
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone 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 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone (CID 110269090) is 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone is CN(C)c1nccc(C2CCCN(C(=O)CO)C2)n1.
What is the InChIKey of 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is OAAADLFHWYDLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16(2)13-14-6-5-11(15-13)10-4-3-7-17(8-10)12(19)9-18/h5-6,10,18H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone?
1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 264.33 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 110269090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).