2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one

C13H21N3O — CID 84698905

IUPAC2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(CC2CCCCN2)[nH]c1=O
InChIInChI=1S/C13H21N3O/c1-9(2)11-8-15-12(16-13(11)17)7-10-5-3-4-6-14-10/h8-10,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyQCPCGTGSYDBVAP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.58
Rot. Bonds3

About 2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one

2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 84698905) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID84698905
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(CC2CCCCN2)[nH]c1=O
InChIInChI=1S/C13H21N3O/c1-9(2)11-8-15-12(16-13(11)17)7-10-5-3-4-6-14-10/h8-10,14H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyQCPCGTGSYDBVAP-UHFFFAOYSA-N
XLogP1.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(piperidin-2-ylmethyl)-5-propan-2-yl-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

Related Compounds

5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 84696945
3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine
CID 115009220
5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 82237690
2-(piperidin-2-ylmethyl)-3,6-di(propan-2-yl)phenol
CID 117441122
2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 115041060
2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 116877651
5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231619
2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine
CID 84687903
4-chloro-2-(piperidin-2-ylmethyl)-5-propan-2-ylphenol
CID 117423339
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one
CID 106641472

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 84698905) is 2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cnc(CC2CCCCN2)[nH]c1=O.
What is the InChIKey of 2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is QCPCGTGSYDBVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)11-8-15-12(16-13(11)17)7-10-5-3-4-6-14-10/h8-10,14H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 84698905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).