tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

C16H20Cl2N4O3 — CID 170969866

IUPACtert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(Cc3cnc(Cl)nc3Cl)C2=O)C1
InChIInChI=1S/C16H20Cl2N4O3/c1-15(2,3)25-14(24)22-8-16(9-22)4-5-21(12(16)23)7-10-6-19-13(18)20-11(10)17/h6H,4-5,7-9H2,1-3H3
InChIKeyCUUVJTXKTDMYPD-UHFFFAOYSA-N
MW387.27 g/mol
LogP2.75
Rot. Bonds2

About tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate (PubChem CID 170969866) has the molecular formula C16H20Cl2N4O3 and a molecular weight of 387.27 g/mol. Its IUPAC name is tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
PubChem CID170969866
Molecular FormulaC16H20Cl2N4O3
Molecular Weight387.27 g/mol
Exact Mass386.09
IUPAC Nametert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(Cc3cnc(Cl)nc3Cl)C2=O)C1
InChIInChI=1S/C16H20Cl2N4O3/c1-15(2,3)25-14(24)22-8-16(9-22)4-5-21(12(16)23)7-10-6-19-13(18)20-11(10)17/h6H,4-5,7-9H2,1-3H3
InChIKeyCUUVJTXKTDMYPD-UHFFFAOYSA-N
XLogP2.75
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[(2-aminophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 45074121
tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 171080628
tert-butyl 7-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;7-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 159441699
tert-butyl (2S)-2-[[(2,4-dichloropyrimidin-5-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97172791
1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one
CID 170969547
tert-butyl (3aS,6aR)-2-(2,5-dichloropyrimidin-4-yl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 155454969
tert-butyl N-[1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-yl]carbamate
CID 71632178
tert-butyl N-[[(2S)-1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-2-yl]methyl]carbamate
CID 97174287
tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate
CID 176544846
tert-butyl N-acetyl-N-[(2,4-dichloropyrimidin-5-yl)methyl]carbamate
CID 176910571
tert-butyl 4-(2-chloro-5-fluoropyrimidin-4-yl)piperazine-1-carboxylate
CID 56763780
tert-butyl 3-[[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-4-phenylpyrrolidine-1-carboxylate
CID 67371862

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate (CID 170969866) is tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCN(Cc3cnc(Cl)nc3Cl)C2=O)C1.
What is the InChIKey of tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
The InChIKey is CUUVJTXKTDMYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O3/c1-15(2,3)25-14(24)22-8-16(9-22)4-5-21(12(16)23)7-10-6-19-13(18)20-11(10)17/h6H,4-5,7-9H2,1-3H3.
What are the key properties of tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate has a molecular weight of 387.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2,4-dichloropyrimidin-5-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 170969866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).