Basic information
- Standard SMILES
COC(=O)c1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nc(C)n2)s1- InChIKey
QBWFNYUPMJUHMQ-KGLIPLIRSA-N- Molecular formula
- C20H22N6O3S
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- Methyl 5-((2-methyl-6-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy)pyrimidin-4-ylamino)methyl)-1,3,4-thiadiazole-2-carboxylate
- IUPAC
- methyl 5-[[[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-yl]amino]methyl]-1,3,4-thiadiazole-2-carboxylate
Names & synonyms
SCHEMBL14726901QBWFNYUPMJUHMQ-KGLIPLIRSA-NMethyl 5-((2-methyl-6-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy)pyrimidin-4-ylamino)methyl)-1,3,4-thiadiazole-2-carboxylate
Database identifiers
- PubChem CID
- 71274155
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 587
Related reactions
1 records
Compound notes
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