5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one

C10H16N4O — CID 115114272

IUPAC5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one
SMILESNc1cn(CC2CCNCC2)cnc1=O
InChIInChI=1S/C10H16N4O/c11-9-6-14(7-13-10(9)15)5-8-1-3-12-4-2-8/h6-8,12H,1-5,11H2
InChIKeyIUCOLHZXMBKRAT-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.17
Rot. Bonds2

About 5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one

5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one (PubChem CID 115114272) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one
PubChem CID115114272
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one
SMILESNc1cn(CC2CCNCC2)cnc1=O
InChIInChI=1S/C10H16N4O/c11-9-6-14(7-13-10(9)15)5-8-1-3-12-4-2-8/h6-8,12H,1-5,11H2
InChIKeyIUCOLHZXMBKRAT-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 66581314
2-[3-[[1-(2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidin-4-yl]methylamino]propyl]guanidine
CID 66581807
5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-tert-butyl-1H-pyrimidin-6-one
CID 89492863
5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 89495155
5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 132235361
5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one;butane
CID 144172848
5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one;ethane
CID 144172863
ethane;2-[3-[[1-(2-methyl-6-oxo-1H-pyrimidin-5-yl)piperidin-4-yl]methylamino]propyl]guanidine
CID 144172866
5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one;ethane
CID 144172930
2-[3-[[1-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-4-yl]methylamino]propyl]guanidine
CID 144172949
5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide
CID 162725265
5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 162725266

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one (CID 115114272) is 5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one is Nc1cn(CC2CCNCC2)cnc1=O.
What is the InChIKey of 5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one?
The InChIKey is IUCOLHZXMBKRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-9-6-14(7-13-10(9)15)5-8-1-3-12-4-2-8/h6-8,12H,1-5,11H2.
What are the key properties of 5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one?
5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(piperidin-4-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 115114272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).