tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate

C15H26N4O2Sn — CID 169008754

IUPACtert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Nc2cnc([Sn](C)(C)C)cn2)C1
InChIInChI=1S/C12H17N4O2.3CH3.Sn/c1-12(2,3)18-11(17)16-7-9(8-16)15-10-6-13-4-5-14-10;;;;/h5-6,9H,7-8H2,1-3H3,(H,14,15);3*1H3;
InChIKeyCVKMHULPQNQSJM-UHFFFAOYSA-N
MW413.11 g/mol
LogP2.05
Rot. Bonds3

About tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate

tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate (PubChem CID 169008754) has the molecular formula C15H26N4O2Sn and a molecular weight of 413.11 g/mol. Its IUPAC name is tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate
PubChem CID169008754
Molecular FormulaC15H26N4O2Sn
Molecular Weight413.11 g/mol
Exact Mass414.11
IUPAC Nametert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Nc2cnc([Sn](C)(C)C)cn2)C1
InChIInChI=1S/C12H17N4O2.3CH3.Sn/c1-12(2,3)18-11(17)16-7-9(8-16)15-10-6-13-4-5-14-10;;;;/h5-6,9H,7-8H2,1-3H3,(H,14,15);3*1H3;
InChIKeyCVKMHULPQNQSJM-UHFFFAOYSA-N
XLogP2.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 175109329
tert-butyl (3aS,6aR)-5-[(5-iodopyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 156511261
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]pyridine-4-carboxylic acid
CID 118918262
tert-butyl 3-[(6-chloropyridazin-3-yl)amino]azetidine-1-carboxylate
CID 146078205
tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629441
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594
tert-butyl 3-[(2-cyanopyrimidin-4-yl)amino]azetidine-1-carboxylate
CID 171599537
tert-butyl 3-[(6-pentan-3-ylpyrimidin-4-yl)amino]azetidine-1-carboxylate
CID 126849675
N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate
CID 157219072
tert-butyl 3-[[5-(hydroxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 150009330
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944
tert-butyl 3-[[6-bromo-5-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 166885100

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate (CID 169008754) is tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Nc2cnc([Sn](C)(C)C)cn2)C1.
What is the InChIKey of tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate?
The InChIKey is CVKMHULPQNQSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N4O2.3CH3.Sn/c1-12(2,3)18-11(17)16-7-9(8-16)15-10-6-13-4-5-14-10;;;;/h5-6,9H,7-8H2,1-3H3,(H,14,15);3*1H3;.
What are the key properties of tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate?
tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate has a molecular weight of 413.11 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 169008754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).