Tris(1,1-dimethylethyl) 2-(2-chloro-5-fluoro-6-{[2-methyl-2-(4-morpholinyl)propyl]amino}-4-pyrimidinyl)-1,1,2-hydrazinetricarboxylate

HCID 86636980

Basic information

Standard SMILES
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1nc(Cl)nc(NCC(C)(C)N2CCOCC2)c1F
InChIKey
XGKGDFYGCOYLFM-UHFFFAOYSA-N
Molecular formula
C27H44ClFN6O7
Average molar mass
619.1 g/mol

Names & identifiers

Preferred name
Tris(1,1-dimethylethyl) 2-(2-chloro-5-fluoro-6-{[2-methyl-2-(4-morpholinyl)propyl]amino}-4-pyrimidinyl)-1,1,2-hydrazinetricarboxylate
IUPAC
tert-butyl N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-N-[2-chloro-5-fluoro-6-[(2-methyl-2-morpholin-4-ylpropyl)amino]pyrimidin-4-yl]carbamate

Names & synonyms

SCHEMBL1190030XGKGDFYGCOYLFM-UHFFFAOYSA-Ntris(1,1-dimethylethyl) 2-(2-chloro-5-fluoro-6-{[2-methyl-2-(4-morpholinyl)propyl]amino}-4-pyrimidinyl)-1,1,2-hydrazinetricarboxylatetris(1,1-dimethylethyl)2-(2-chloro-5-fluoro-6-{[2-methyl-2-(4-morpholinyl)propyl]amino}-4-pyrimidinyl)-1,1,2-hydrazinetricarboxylate

Database identifiers

PubChem CID
86636980

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
136 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
12
Rotatable bonds
11
Heavy atoms
42

Related reactions

3 records

Compound notes

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