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

C11H18N4O — CID 83852427

IUPAC5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESNCCc1cnc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H18N4O/c12-5-4-9-8-13-11(14-10(9)16)15-6-2-1-3-7-15/h8H,1-7,12H2,(H,13,14,16)
InChIKeyWAZBVTLYJSKDMV-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.26
Rot. Bonds3

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

5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 83852427) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID83852427
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESNCCc1cnc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H18N4O/c12-5-4-9-8-13-11(14-10(9)16)15-6-2-1-3-7-15/h8H,1-7,12H2,(H,13,14,16)
InChIKeyWAZBVTLYJSKDMV-UHFFFAOYSA-N
XLogP0.26
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 15175751
2-(diethylamino)-5-ethyl-1H-pyrimidin-6-one
CID 58091021
2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine
CID 66581382
2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one
CID 123861410
2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136068757
5-butan-2-yl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 139525587
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
5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 144832574
N,N-dimethyl-1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxamide
CID 165103559
5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 82507601
5-(2-aminoethyl)-2-(dimethylamino)-1H-pyrimidin-6-one
CID 83851911

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 83852427) is 5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one is NCCc1cnc(N2CCCCC2)[nH]c1=O.
What is the InChIKey of 5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is WAZBVTLYJSKDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-5-4-9-8-13-11(14-10(9)16)15-6-2-1-3-7-15/h8H,1-7,12H2,(H,13,14,16).
What are the key properties of 5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 83852427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).