2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one

C12H17N3O2 — CID 7748969

IUPAC2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCCC2)c(C)n1
InChIInChI=1S/C12H17N3O2/c1-9-7-11(16)15(10(2)13-9)8-12(17)14-5-3-4-6-14/h7H,3-6,8H2,1-2H3
InChIKeyNYUMFWQLOSFWJV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.48
Rot. Bonds2

About 2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one

2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 7748969) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID7748969
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCCC2)c(C)n1
InChIInChI=1S/C12H17N3O2/c1-9-7-11(16)15(10(2)13-9)8-12(17)14-5-3-4-6-14/h7H,3-6,8H2,1-2H3
InChIKeyNYUMFWQLOSFWJV-UHFFFAOYSA-N
XLogP0.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 7748969) is 2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is Cc1cc(=O)n(CC(=O)N2CCCC2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is NYUMFWQLOSFWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-7-11(16)15(10(2)13-9)8-12(17)14-5-3-4-6-14/h7H,3-6,8H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 235.29 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 7748969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).