5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one

C11H18N4O — CID 115114328

IUPAC5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one
SMILESNCc1cn(CC2CCCCN2)cnc1=O
InChIInChI=1S/C11H18N4O/c12-5-9-6-15(8-14-11(9)16)7-10-3-1-2-4-13-10/h6,8,10,13H,1-5,7,12H2
InChIKeyGUNHVMZGPAUGID-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.16
Rot. Bonds3

About 5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one

5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one (PubChem CID 115114328) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one
PubChem CID115114328
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one
SMILESNCc1cn(CC2CCCCN2)cnc1=O
InChIInChI=1S/C11H18N4O/c12-5-9-6-15(8-14-11(9)16)7-10-3-1-2-4-13-10/h6,8,10,13H,1-5,7,12H2
InChIKeyGUNHVMZGPAUGID-UHFFFAOYSA-N
XLogP-0.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4-hydroxypyrimidine-5-carboxamide
CID 132227790
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 146193144
5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82505249
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)-1H-pyrimidin-6-one
CID 104189946
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-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206187

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one (CID 115114328) is 5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one is NCc1cn(CC2CCCCN2)cnc1=O.
What is the InChIKey of 5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is GUNHVMZGPAUGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-5-9-6-15(8-14-11(9)16)7-10-3-1-2-4-13-10/h6,8,10,13H,1-5,7,12H2.
What are the key properties of 5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one?
5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 115114328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).