tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate

C15H22ClN5O2 — CID 71113288

IUPACtert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC(Nc3ncnc(N)c3Cl)C2)C1
InChIInChI=1S/C15H22ClN5O2/c1-14(2,3)23-13(22)21-6-15(7-21)4-9(5-15)20-12-10(16)11(17)18-8-19-12/h8-9H,4-7H2,1-3H3,(H3,17,18,19,20)
InChIKeyXFOAWTFGGUFBPP-UHFFFAOYSA-N
MW339.83 g/mol
LogP2.52
Rot. Bonds2

About tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 71113288) has the molecular formula C15H22ClN5O2 and a molecular weight of 339.83 g/mol. Its IUPAC name is tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID71113288
Molecular FormulaC15H22ClN5O2
Molecular Weight339.83 g/mol
Exact Mass339.15
IUPAC Nametert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC(Nc3ncnc(N)c3Cl)C2)C1
InChIInChI=1S/C15H22ClN5O2/c1-14(2,3)23-13(22)21-6-15(7-21)4-9(5-15)20-12-10(16)11(17)18-8-19-12/h8-9H,4-7H2,1-3H3,(H3,17,18,19,20)
InChIKeyXFOAWTFGGUFBPP-UHFFFAOYSA-N
XLogP2.52
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate with MolForge

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Related Compounds

tert-butyl (3R,4S)-3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4-hydroxypyrrolidine-1-carboxylate
CID 90225751
tert-butyl 6-(2-methylhydrazinyl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 156512590
bis(tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 164886537
tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 126660696
tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 168901631
tert-butyl 6-[(4-chlorophenyl)methylcarbamoylamino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166834913
5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine
CID 106812350
tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]piperidine-1-carboxylate;ethane
CID 145011201
5-chloro-4-N-(3,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 106812467
tert-butyl 3-[(6-chloro-5-methoxypyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 42609078
tert-butyl 4-(5-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 71748362
tert-butyl 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 162746105

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate (CID 71113288) is tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CC(Nc3ncnc(N)c3Cl)C2)C1.
What is the InChIKey of tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is XFOAWTFGGUFBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5O2/c1-14(2,3)23-13(22)21-6-15(7-21)4-9(5-15)20-12-10(16)11(17)18-8-19-12/h8-9H,4-7H2,1-3H3,(H3,17,18,19,20).
What are the key properties of tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 339.83 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 71113288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).