2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one

C11H18N4O — CID 84687782

IUPAC2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
SMILESCn1c(CN)nc(N2CCCCC2)cc1=O
InChIInChI=1S/C11H18N4O/c1-14-10(8-12)13-9(7-11(14)16)15-5-3-2-4-6-15/h7H,2-6,8,12H2,1H3
InChIKeyPTLNCVJATNNIDE-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.23
Rot. Bonds2

About 2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one

2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one (PubChem CID 84687782) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
PubChem CID84687782
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
SMILESCn1c(CN)nc(N2CCCCC2)cc1=O
InChIInChI=1S/C11H18N4O/c1-14-10(8-12)13-9(7-11(14)16)15-5-3-2-4-6-15/h7H,2-6,8,12H2,1H3
InChIKeyPTLNCVJATNNIDE-UHFFFAOYSA-N
XLogP0.23
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Dimethyl-6-piperidin-1-ylpyrimidin-4-one
CID 67744616
2-Amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83873338
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-(methylamino)-N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 164573864
[(2E)-2-[3-amino-1-(methylamino)-3-oxoprop-1-enyl]imino-2-piperidin-1-ylethylidene]tungsten
CID 172189411
2-Amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one
CID 12502633
2-Amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one
CID 12502635
2-(4-Methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 14956503
2-(Aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84658554
2-(Aminomethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84676229
2-Amino-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84676232
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one (CID 84687782) is 2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one is Cn1c(CN)nc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one?
The InChIKey is PTLNCVJATNNIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-10(8-12)13-9(7-11(14)16)15-5-3-2-4-6-15/h7H,2-6,8,12H2,1H3.
What are the key properties of 2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one?
2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 84687782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).