1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one

C16H21N5O — CID 56870160

IUPAC1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one
SMILESCC(C)c1nccc(-c2nccn2CCN2CCCC2=O)n1
InChIInChI=1S/C16H21N5O/c1-12(2)15-17-6-5-13(19-15)16-18-7-9-21(16)11-10-20-8-3-4-14(20)22/h5-7,9,12H,3-4,8,10-11H2,1-2H3
InChIKeyGBVLLMHIGCPXDS-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.09
Rot. Bonds5

About 1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one

1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 56870160) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one
PubChem CID56870160
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one
SMILESCC(C)c1nccc(-c2nccn2CCN2CCCC2=O)n1
InChIInChI=1S/C16H21N5O/c1-12(2)15-17-6-5-13(19-15)16-18-7-9-21(16)11-10-20-8-3-4-14(20)22/h5-7,9,12H,3-4,8,10-11H2,1-2H3
InChIKeyGBVLLMHIGCPXDS-UHFFFAOYSA-N
XLogP2.09
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one (CID 56870160) is 1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one is CC(C)c1nccc(-c2nccn2CCN2CCCC2=O)n1.
What is the InChIKey of 1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is GBVLLMHIGCPXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12(2)15-17-6-5-13(19-15)16-18-7-9-21(16)11-10-20-8-3-4-14(20)22/h5-7,9,12H,3-4,8,10-11H2,1-2H3.
What are the key properties of 1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 299.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 56870160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).