5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one

C10H16N4O — CID 115114244

IUPAC5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one
SMILESNCc1cn(C2CCNCC2)cnc1=O
InChIInChI=1S/C10H16N4O/c11-5-8-6-14(7-13-10(8)15)9-1-3-12-4-2-9/h6-7,9,12H,1-5,11H2
InChIKeyRHDRAYLZMWBNPP-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.37
Rot. Bonds2

About 5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one

5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one (PubChem CID 115114244) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one
PubChem CID115114244
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one
SMILESNCc1cn(C2CCNCC2)cnc1=O
InChIInChI=1S/C10H16N4O/c11-5-8-6-14(7-13-10(8)15)9-1-3-12-4-2-9/h6-7,9,12H,1-5,11H2
InChIKeyRHDRAYLZMWBNPP-UHFFFAOYSA-N
XLogP-0.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-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-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 18935581
5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82505249
5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 82507601
3-Methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one
CID 83883911
3-Methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one
CID 83890794
6-oxo-N-(1-propylpiperidin-4-yl)-1,6-dihydropyrimidine-5-carboxamide
CID 91769883
N-(1-cyclopentylpiperidin-4-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91771766
5-(aminomethyl)-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one
CID 104189988
5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 110856004
5-(4-methylpiperazin-2-yl)-1H-pyrimidin-6-one
CID 112488595
2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206295
5-(Aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one
CID 115114245

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one (CID 115114244) is 5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one is NCc1cn(C2CCNCC2)cnc1=O.
What is the InChIKey of 5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one?
The InChIKey is RHDRAYLZMWBNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-5-8-6-14(7-13-10(8)15)9-1-3-12-4-2-9/h6-7,9,12H,1-5,11H2.
What are the key properties of 5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one?
5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-piperidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 115114244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).