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

C11H18N4O — CID 115114268

IUPAC5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one
SMILESNCc1cn(CC2CCNCC2)cnc1=O
InChIInChI=1S/C11H18N4O/c12-5-10-7-15(8-14-11(10)16)6-9-1-3-13-4-2-9/h7-9,13H,1-6,12H2
InChIKeyLHHNURWRBTVRQD-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.30
Rot. Bonds3

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

5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one (PubChem CID 115114268) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one
PubChem CID115114268
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one
SMILESNCc1cn(CC2CCNCC2)cnc1=O
InChIInChI=1S/C11H18N4O/c12-5-10-7-15(8-14-11(10)16)6-9-1-3-13-4-2-9/h7-9,13H,1-6,12H2
InChIKeyLHHNURWRBTVRQD-UHFFFAOYSA-N
XLogP-0.30
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 ≤ 5-0.30
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
N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 56710793
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
6-oxo-N-(1-propylpiperidin-4-yl)-1,6-dihydropyrimidine-5-carboxamide
CID 91769883
5-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 110849117
2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206295
5-(Aminomethyl)-1-piperidin-4-ylpyrimidin-4-one
CID 115114244
5-(Aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one
CID 115114245
5-(Aminomethyl)-1-(pyrrolidin-3-ylmethyl)pyrimidin-4-one
CID 115114256

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one (CID 115114268) is 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one is NCc1cn(CC2CCNCC2)cnc1=O.
What is the InChIKey of 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one?
The InChIKey is LHHNURWRBTVRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-5-10-7-15(8-14-11(10)16)6-9-1-3-13-4-2-9/h7-9,13H,1-6,12H2.
What are the key properties of 5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one?
5-(aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of -0.30, 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-4-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 115114268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).