IUX

~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide

Created:	2022-04-13
Last modified:	2023-08-16

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1 entries where IUX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	10

2D diagram of IUX

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Chemical Component Summary
Name	~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
Formula	C₁₄ H₁₇ N₃ O
Molecular Weight	243.304
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1(C)C[C]1(C)NC(=O)c2cc3cccn3cn2
SMILES	OpenEye OEToolkits	2.0.7	CC1(CC1(C)NC(=O)c2cc3cccn3cn2)C
Canonical SMILES	CACTVS	3.385	CC1(C)C[C@]1(C)NC(=O)c2cc3cccn3cn2
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@]1(CC1(C)C)NC(=O)c2cc3cccn3cn2
InChI	InChI	1.06	InChI=1S/C14H17N3O/c1-13(2)8-14(13,3)16-12(18)11-7-10-5-4-6-17(10)9-15-11/h4-7,9H,8H2,1-3H3,(H,16,18)/t14-/m0/s1
InChIKey	InChI	1.06	AMNHFJHFCQKFMV-AWEZNQCLSA-N

Related Resource References

Resource Name	Reference
PubChem	168451650

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