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

C11H17N3O — CID 84675422

IUPAC5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1cnc(CC2CCCN2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-2-8-7-13-10(14-11(8)15)6-9-4-3-5-12-9/h7,9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyFNCIYEUQMRKWKT-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.63
Rot. Bonds3

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

5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 84675422) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID84675422
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1cnc(CC2CCCN2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-2-8-7-13-10(14-11(8)15)6-9-4-3-5-12-9/h7,9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyFNCIYEUQMRKWKT-UHFFFAOYSA-N
XLogP0.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]-5-ethyl-1H-pyrimidin-6-one
CID 169149090
5-ethyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84664919
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide
CID 90841217
2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one
CID 144503930
2,5-dipropyl-1H-pyrimidin-6-one
CID 165101826
2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one
CID 169148552
5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 169149103
5-butyl-2-ethyl-1H-pyrimidin-6-one
CID 172709833
2-Methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one
CID 83884521
2-cyclopentyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 84130399
2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one
CID 84652722
5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84656984

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (CID 84675422) is 5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one is CCc1cnc(CC2CCCN2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is FNCIYEUQMRKWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-8-7-13-10(14-11(8)15)6-9-4-3-5-12-9/h7,9,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84675422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).