5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one

C12H19N3O — CID 84686959

IUPAC5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1cnc(CC2CCCCN2)[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-2-9-8-14-11(15-12(9)16)7-10-5-3-4-6-13-10/h8,10,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyIIGZJGCCIHCMGK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.02
Rot. Bonds3

About 5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one

5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 84686959) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID84686959
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1cnc(CC2CCCCN2)[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-2-9-8-14-11(15-12(9)16)7-10-5-3-4-6-13-10/h8,10,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyIIGZJGCCIHCMGK-UHFFFAOYSA-N
XLogP1.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70711114
2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one
CID 144503930
2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one
CID 153979522
5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 169149103
2-methyl-5-piperidin-2-yl-1H-pyrimidin-6-one
CID 82401864
3-(Aminomethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83878479
2-cyclohexyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 84146202
2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one
CID 84658043
5-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 84664921
5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 84664922
5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 84664926
2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 84666368

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one (CID 84686959) is 5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one is CCc1cnc(CC2CCCCN2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is IIGZJGCCIHCMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-9-8-14-11(15-12(9)16)7-10-5-3-4-6-13-10/h8,10,13H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84686959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).