tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate

C16H22N4O2 — CID 155565018

IUPACtert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cn3cccnc3n2)C1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-4-6-12(10-20)13-11-19-9-5-7-17-14(19)18-13/h5,7,9,11-12H,4,6,8,10H2,1-3H3
InChIKeyCERVUBMJZFSELI-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.84
Rot. Bonds1

About tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate

tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate (PubChem CID 155565018) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate
PubChem CID155565018
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nametert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cn3cccnc3n2)C1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-4-6-12(10-20)13-11-19-9-5-7-17-14(19)18-13/h5,7,9,11-12H,4,6,8,10H2,1-3H3
InChIKeyCERVUBMJZFSELI-UHFFFAOYSA-N
XLogP2.84
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72895405
2-(1-ethyl-4-piperidinyl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
CID 72928221
tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
CID 67286677
tert-butyl N-[(S)-[7-[(R)-amino(cyclopropyl)methyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]carbamate
CID 163773276
tert-butyl N-[(S)-[7-[amino(cyclopropyl)methyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]carbamate
CID 166822398
tert-butyl N-[(S)-[7-[(S)-amino(cyclopropyl)methyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]carbamate
CID 166822488
Tert-butyl 6-[[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-6-yl]methyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 170784782
Tert-butyl 3-[5-methoxy-3-(trifluoromethyl)imidazo[1,2-c]pyrimidin-7-yl]pyrrolidine-1-carboxylate
CID 176158471
tert-butyl N-[(S)-(7-bromoimidazo[1,2-a]pyrimidin-2-yl)-(4,4-difluorocyclohexyl)methyl]carbamate
CID 178077839
tert-butyl N-methyl-N-[2-[methyl-(7-pyridin-3-ylimidazo[1,2-a]pyrimidin-3-yl)amino]ethyl]carbamate
CID 168264129

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate (CID 155565018) is tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2cn3cccnc3n2)C1.
What is the InChIKey of tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate?
The InChIKey is CERVUBMJZFSELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-4-6-12(10-20)13-11-19-9-5-7-17-14(19)18-13/h5,7,9,11-12H,4,6,8,10H2,1-3H3.
What are the key properties of tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate?
tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 155565018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).