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

C18H25FN4O2 — CID 67284356

IUPACtert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1c(C[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc2c(F)cncn12
InChIInChI=1S/C18H25FN4O2/c1-12-15(21-16-14(19)10-20-11-23(12)16)9-13-7-5-6-8-22(13)17(24)25-18(2,3)4/h10-11,13H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyGMCCTCLZHVKELX-ZDUSSCGKSA-N
MW348.42 g/mol
LogP3.51
Rot. Bonds2

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

tert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 67284356) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
PubChem CID67284356
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Nametert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1c(C[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc2c(F)cncn12
InChIInChI=1S/C18H25FN4O2/c1-12-15(21-16-14(19)10-20-11-23(12)16)9-13-7-5-6-8-22(13)17(24)25-18(2,3)4/h10-11,13H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyGMCCTCLZHVKELX-ZDUSSCGKSA-N
XLogP3.51
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dimethylethyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-a]pyridin-2-yl)methyl]-1-piperidinecarboxylate
CID 57549186
1,1-dimethylethyl (2S)-2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1-piperidinecarboxylate
CID 57549209
1,1-dimethylethyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-piperidinecarboxylate
CID 57549224
tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
CID 67286677
Tert-butyl 2-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate
CID 76562719
tert-Butyl 1-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridine-5(4H)-carboxylate
CID 90408513
(S)-tert-butyl 1-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridine-5(4H)-carboxylate
CID 90408514
tert-butyl 1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxylate
CID 90409189
tert-butyl (4S)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxylate
CID 90409190
Tert-butyl 6-(6-chloro-5-fluoro-3-methylimidazo[1,5-a]pyrazin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 172369240
tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 176565918
tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate
CID 176566555

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate (CID 67284356) is tert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate is Cc1c(C[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc2c(F)cncn12.
What is the InChIKey of tert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is GMCCTCLZHVKELX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-12-15(21-16-14(19)10-20-11-23(12)16)9-13-7-5-6-8-22(13)17(24)25-18(2,3)4/h10-11,13H,5-9H2,1-4H3/t13-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 348.42 g/mol, XLogP of 3.51, 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-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 67284356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).