3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one

C11H15N3O — CID 19987431

IUPAC3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)NCC1Cc1ccncn1
InChIInChI=1S/C11H15N3O/c1-2-10-8(6-13-11(10)15)5-9-3-4-12-7-14-9/h3-4,7-8,10H,2,5-6H2,1H3,(H,13,15)
InChIKeyGMWYPPFGEBLFGZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.79
Rot. Bonds3

About 3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one

3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 19987431) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one
PubChem CID19987431
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)NCC1Cc1ccncn1
InChIInChI=1S/C11H15N3O/c1-2-10-8(6-13-11(10)15)5-9-3-4-12-7-14-9/h3-4,7-8,10H,2,5-6H2,1H3,(H,13,15)
InChIKeyGMWYPPFGEBLFGZ-UHFFFAOYSA-N
XLogP0.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one (CID 19987431) is 3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one is CCC1C(=O)NCC1Cc1ccncn1.
What is the InChIKey of 3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is GMWYPPFGEBLFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-10-8(6-13-11(10)15)5-9-3-4-12-7-14-9/h3-4,7-8,10H,2,5-6H2,1H3,(H,13,15).
What are the key properties of 3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one?
3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 19987431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).