tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate

C14H22N4O2 — CID 155973022

IUPACtert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2cn3c(n2)NCCC3)C1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-7-10(8-18)11-9-17-6-4-5-15-12(17)16-11/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyWXGQWOFAOLUGQG-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.03
Rot. Bonds1

About tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate

tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate (PubChem CID 155973022) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate
PubChem CID155973022
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2cn3c(n2)NCCC3)C1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-7-10(8-18)11-9-17-6-4-5-15-12(17)16-11/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyWXGQWOFAOLUGQG-UHFFFAOYSA-N
XLogP2.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate (CID 155973022) is tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(c2cn3c(n2)NCCC3)C1.
What is the InChIKey of tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate?
The InChIKey is WXGQWOFAOLUGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-7-10(8-18)11-9-17-6-4-5-15-12(17)16-11/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate?
tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)azetidine-1-carboxylate is sourced from PubChem (CID 155973022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).