1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C16H22N6O2 — CID 72876295

IUPAC1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)NCc2cn3cccnc3n2)CC1=O
InChIInChI=1S/C16H22N6O2/c1-20(2)6-7-21-10-12(8-14(21)23)15(24)18-9-13-11-22-5-3-4-17-16(22)19-13/h3-5,11-12H,6-10H2,1-2H3,(H,18,24)
InChIKeyAFSZKMXOLZYTIU-UHFFFAOYSA-N
MW330.39 g/mol
LogP-0.24
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 72876295) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID72876295
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)NCc2cn3cccnc3n2)CC1=O
InChIInChI=1S/C16H22N6O2/c1-20(2)6-7-21-10-12(8-14(21)23)15(24)18-9-13-11-22-5-3-4-17-16(22)19-13/h3-5,11-12H,6-10H2,1-2H3,(H,18,24)
InChIKeyAFSZKMXOLZYTIU-UHFFFAOYSA-N
XLogP-0.24
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 72876295) is 1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CN(C)CCN1CC(C(=O)NCc2cn3cccnc3n2)CC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AFSZKMXOLZYTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20(2)6-7-21-10-12(8-14(21)23)15(24)18-9-13-11-22-5-3-4-17-16(22)19-13/h3-5,11-12H,6-10H2,1-2H3,(H,18,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of -0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 72876295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).