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

C18H25ClN4O2 — CID 67284747

IUPACtert-butyl (2S)-2-[(3-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1cncn2c(Cl)c(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12
InChIInChI=1S/C18H25ClN4O2/c1-12-10-20-11-23-15(19)14(21-16(12)23)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
InChIKeyKJARZMQNNCGAOD-ZDUSSCGKSA-N
MW364.88 g/mol
LogP4.02
Rot. Bonds2

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

tert-butyl (2S)-2-[(3-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 67284747) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(3-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(3-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
PubChem CID67284747
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Nametert-butyl (2S)-2-[(3-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1cncn2c(Cl)c(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12
InChIInChI=1S/C18H25ClN4O2/c1-12-10-20-11-23-15(19)14(21-16(12)23)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
InChIKeyKJARZMQNNCGAOD-ZDUSSCGKSA-N
XLogP4.02
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.02
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-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(3-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate (CID 67284747) is tert-butyl (2S)-2-[(3-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(3-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(3-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate is Cc1cncn2c(Cl)c(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12.
What is the InChIKey of tert-butyl (2S)-2-[(3-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is KJARZMQNNCGAOD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-12-10-20-11-23-15(19)14(21-16(12)23)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-[(3-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(3-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 364.88 g/mol, XLogP of 4.02, 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-chloro-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 67284747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).