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

C16H21N5O2 — CID 70742805

IUPAC1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NCc2cn3cccnc3n2)CC1=O
InChIInChI=1S/C16H21N5O2/c1-16(2,3)21-9-11(7-13(21)22)14(23)18-8-12-10-20-6-4-5-17-15(20)19-12/h4-6,10-11H,7-9H2,1-3H3,(H,18,23)
InChIKeyGLHBHOGWQAPZPI-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.99
Rot. Bonds3

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

1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 70742805) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID70742805
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NCc2cn3cccnc3n2)CC1=O
InChIInChI=1S/C16H21N5O2/c1-16(2,3)21-9-11(7-13(21)22)14(23)18-8-12-10-20-6-4-5-17-15(20)19-12/h4-6,10-11H,7-9H2,1-3H3,(H,18,23)
InChIKeyGLHBHOGWQAPZPI-UHFFFAOYSA-N
XLogP0.99
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10166214, Example 131
CID 117709192
1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 51081162
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-isopropyl-4-piperidinecarboxamide
CID 72854333
1-(cyclopropylcarbonyl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidinecarboxamide
CID 72872965
1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-3-pyrrolidinecarboxamide
CID 72876295
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}imidazo[1,2-a]pyrimidine-2-carboxamide
CID 70717321
1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-piperidinecarboxamide
CID 70747445
(3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one
CID 99829144
(2S)-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-2,4-dimethylpent-4-enamide
CID 164638458
N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 139357797
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 139358260
N-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide
CID 139358730

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 70742805) is 1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)NCc2cn3cccnc3n2)CC1=O.
What is the InChIKey of 1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GLHBHOGWQAPZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-16(2,3)21-9-11(7-13(21)22)14(23)18-8-12-10-20-6-4-5-17-15(20)19-12/h4-6,10-11H,7-9H2,1-3H3,(H,18,23).
What are the key properties of 1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70742805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).