tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate

C17H24N4O2 — CID 59376694

IUPACtert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1Cc1cn2cccnc2n1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-10-5-4-7-14(21)11-13-12-20-9-6-8-18-15(20)19-13/h6,8-9,12,14H,4-5,7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyXSZDBJTUEZQROS-AWEZNQCLSA-N
MW316.40 g/mol
LogP3.06
Rot. Bonds2

About tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate

tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate (PubChem CID 59376694) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate
PubChem CID59376694
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Nametert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1Cc1cn2cccnc2n1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-10-5-4-7-14(21)11-13-12-20-9-6-8-18-15(20)19-13/h6,8-9,12,14H,4-5,7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyXSZDBJTUEZQROS-AWEZNQCLSA-N
XLogP3.06
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-(1-piperidinyl)butanamide
CID 72857619
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 (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
CID 67286677
Tert-butyl 4-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyrimidin-3-yl]piperazine-1-carboxylate
CID 168264091
Tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate
CID 176509576
Tert-butyl 4-(7-cyclopropylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate
CID 176509577
Tert-butyl 4-imidazo[1,2-a]pyrimidin-3-ylpiperidine-1-carboxylate
CID 23084107
1,1-dimethylethyl (2S)-2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-piperidinecarboxylate
CID 57549184
1,1-dimethylethyl (2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-piperidinecarboxylate
CID 57549203
tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 58417741
tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate
CID 58525286

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate (CID 59376694) is tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1Cc1cn2cccnc2n1.
What is the InChIKey of tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate?
The InChIKey is XSZDBJTUEZQROS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-10-5-4-7-14(21)11-13-12-20-9-6-8-18-15(20)19-13/h6,8-9,12,14H,4-5,7,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate?
tert-butyl (2S)-2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.06, 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-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 59376694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).