5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one

C11H17N3O — CID 84675421

IUPAC5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1cnc(CC2CCNC2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-2-9-7-13-10(14-11(9)15)5-8-3-4-12-6-8/h7-8,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyRTYYQKPDVOLQDJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.48
Rot. Bonds3

About 5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one

5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 84675421) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID84675421
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1cnc(CC2CCNC2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-2-9-7-13-10(14-11(9)15)5-8-3-4-12-6-8/h7-8,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyRTYYQKPDVOLQDJ-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one (CID 84675421) is 5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one is CCc1cnc(CC2CCNC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is RTYYQKPDVOLQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-9-7-13-10(14-11(9)15)5-8-3-4-12-6-8/h7-8,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one?
5-ethyl-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 0.48, 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-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84675421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).