tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate

C17H22FIN4O2 — CID 67286677

IUPACtert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1Cc1nc2c(F)cncn2c1I
InChIInChI=1S/C17H22FIN4O2/c1-17(2,3)25-16(24)22-7-5-4-6-11(22)8-13-14(19)23-10-20-9-12(18)15(23)21-13/h9-11H,4-8H2,1-3H3/t11-/m0/s1
InChIKeySJQQURVSXBBYPG-NSHDSACASA-N
MW460.29 g/mol
LogP3.81
Rot. Bonds2

About tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 67286677) has the molecular formula C17H22FIN4O2 and a molecular weight of 460.29 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
PubChem CID67286677
Molecular FormulaC17H22FIN4O2
Molecular Weight460.29 g/mol
Exact Mass460.08
IUPAC Nametert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1Cc1nc2c(F)cncn2c1I
InChIInChI=1S/C17H22FIN4O2/c1-17(2,3)25-16(24)22-7-5-4-6-11(22)8-13-14(19)23-10-20-9-12(18)15(23)21-13/h9-11H,4-8H2,1-3H3/t11-/m0/s1
InChIKeySJQQURVSXBBYPG-NSHDSACASA-N
XLogP3.81
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate
CID 155565018
tert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
CID 67284356
Tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate
CID 176509576
tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate
CID 58525286
tert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate
CID 58525288
tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate
CID 59376694
1,1-dimethylethyl (2S)-2-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1-piperidinecarboxylate
CID 59376697
tert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
CID 59376698
tert-butyl (2S)-2-[(3-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
CID 67284747
Tert-butyl 2-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
CID 72281277
tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane
CID 91375030
tert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate;ethane
CID 91523723

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate (CID 67286677) is tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1Cc1nc2c(F)cncn2c1I.
What is the InChIKey of tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is SJQQURVSXBBYPG-NSHDSACASA-N. The full InChI is InChI=1S/C17H22FIN4O2/c1-17(2,3)25-16(24)22-7-5-4-6-11(22)8-13-14(19)23-10-20-9-12(18)15(23)21-13/h9-11H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 460.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 67286677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).