5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one

C12H20N4O — CID 115114329

IUPAC5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one
SMILESCN1CCCCC1Cn1cnc(=O)c(CN)c1
InChIInChI=1S/C12H20N4O/c1-15-5-3-2-4-11(15)8-16-7-10(6-13)12(17)14-9-16/h7,9,11H,2-6,8,13H2,1H3
InChIKeySTLDOVKPIYZZLL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.19
Rot. Bonds3

About 5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one

5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one (PubChem CID 115114329) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one
PubChem CID115114329
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one
SMILESCN1CCCCC1Cn1cnc(=O)c(CN)c1
InChIInChI=1S/C12H20N4O/c1-15-5-3-2-4-11(15)8-16-7-10(6-13)12(17)14-9-16/h7,9,11H,2-6,8,13H2,1H3
InChIKeySTLDOVKPIYZZLL-UHFFFAOYSA-N
XLogP0.19
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 115114321
[1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine
CID 107913121
[1-[[(2R)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanamine
CID 129496715
[4-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 81250968
[3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine
CID 80507893
1-[(1-methylpiperidin-2-yl)methyl]pyrazol-4-amine
CID 170985114
1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565238
[6-methyl-2-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 65471691
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 107911250
[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol
CID 129493953
1-[(1-methylpiperidin-2-yl)methyl]pyrazol-4-ol
CID 117124769
1-[(1-methylpiperidin-2-yl)methyl]indazole-3-carbaldehyde
CID 89103267

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one (CID 115114329) is 5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one is CN1CCCCC1Cn1cnc(=O)c(CN)c1.
What is the InChIKey of 5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is STLDOVKPIYZZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-5-3-2-4-11(15)8-16-7-10(6-13)12(17)14-9-16/h7,9,11H,2-6,8,13H2,1H3.
What are the key properties of 5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one?
5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 236.32 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 115114329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).