5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one

C10H16N4O — CID 82507601

IUPAC5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESNCc1cnc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C10H16N4O/c11-6-8-7-12-10(13-9(8)15)14-4-2-1-3-5-14/h7H,1-6,11H2,(H,12,13,15)
InChIKeyJVUVFKGMVDGLAH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.22
Rot. Bonds2

About 5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one

5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 82507601) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID82507601
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESNCc1cnc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C10H16N4O/c11-6-8-7-12-10(13-9(8)15)14-4-2-1-3-5-14/h7H,1-6,11H2,(H,12,13,15)
InChIKeyJVUVFKGMVDGLAH-UHFFFAOYSA-N
XLogP0.22
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Oxo-2-(piperidin-1-yl)-1,6-dihydropyrimidine-5-carbonitrile
CID 1948311
5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 15175751
4-Mercapto-2-piperidin-1-yl-pyrimidine-5-carboxylic acid amide
CID 54493420
5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 131881386
2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
CID 139525588
5-ethenyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 141299662
N,N-dimethyl-1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxamide
CID 165103559
5-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 166901171
5-(Aminomethyl)-2-(dimethylamino)-4(3H)-pyrimidinone
CID 33741937
(5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one
CID 66489659
(5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione
CID 66489819
2-amino-5-(diethylaminomethyl)-1H-pyrimidin-6-one
CID 73893757

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 82507601) is 5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one is NCc1cnc(N2CCCCC2)[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is JVUVFKGMVDGLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-6-8-7-12-10(13-9(8)15)14-4-2-1-3-5-14/h7H,1-6,11H2,(H,12,13,15).
What are the key properties of 5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 82507601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).