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

C18H26N4O2 — CID 59376698

IUPACtert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1c(C[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc2ncccn12
InChIInChI=1S/C18H26N4O2/c1-13-15(20-16-19-9-7-11-21(13)16)12-14-8-5-6-10-22(14)17(23)24-18(2,3)4/h7,9,11,14H,5-6,8,10,12H2,1-4H3/t14-/m0/s1
InChIKeyBIXUUWABNQAOSA-AWEZNQCLSA-N
MW330.43 g/mol
LogP3.37
Rot. Bonds2

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

tert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 59376698) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
PubChem CID59376698
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Nametert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1c(C[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc2ncccn12
InChIInChI=1S/C18H26N4O2/c1-13-15(20-16-19-9-7-11-21(13)16)12-14-8-5-6-10-22(14)17(23)24-18(2,3)4/h7,9,11,14H,5-6,8,10,12H2,1-4H3/t14-/m0/s1
InChIKeyBIXUUWABNQAOSA-AWEZNQCLSA-N
XLogP3.37
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate (CID 59376698) is tert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate is Cc1c(C[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc2ncccn12.
What is the InChIKey of tert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is BIXUUWABNQAOSA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-15(20-16-19-9-7-11-21(13)16)12-14-8-5-6-10-22(14)17(23)24-18(2,3)4/h7,9,11,14H,5-6,8,10,12H2,1-4H3/t14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.37, 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-[(3-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 59376698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).