5-[1-[[(1S,2S)-2-aMinocyclohexyl]aMino]ethylidene]-1,3-diMethyl-2,4,6(1H,3H,5H)-PyriMidinetrione

Base Information

• Chemical Name: 5-[1-[[(1S,2S)-2-aMinocyclohexyl]aMino]ethylidene]-1,3-diMethyl-2,4,6(1H,3H,5H)-PyriMidinetrione
• CAS No.: 1039741-61-1
• Molecular Formula: C14H22N4O3
• Molecular Weight: 294.34948
• DSSTox Substance ID: DTXSID301116792
• Mol file: 1039741-61-1.mol

Synonyms:1039741-61-1;5-[1-[[(1S,2S)-2-aMinocyclohexyl]aMino]ethylidene]-1,3-diMethyl-2,4,6(1H,3H,5H)-PyriMidinetrione;5-(1-{[(1S,2S)-2-aminocyclohexyl]amino}ethylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione;DTXSID301116792;5-[N-[(1S,2S)-2-Aminocyclohexyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

Chemical Property of 5-[1-[[(1S,2S)-2-aMinocyclohexyl]aMino]ethylidene]-1,3-diMethyl-2,4,6(1H,3H,5H)-PyriMidinetrione

Chemical Property:

• PSA: 95.74000
• LogP: 1.13730
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 294.16919058
• Heavy Atom Count: 21
• Complexity: 526

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(=NC1CCCCC1N)C2=C(N(C(=O)N(C2=O)C)C)O
• Isomeric SMILES: CC(=N[C@H]1CCCC[C@@H]1N)C2=C(N(C(=O)N(C2=O)C)C)O

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