Basic information
- Standard SMILES
Cn1ccc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)ncc3C(N)=O)cccc21- InChIKey
HHHUHYQAIWLPKG-GOEBONIOSA-N- Molecular formula
- C20H25N7O
- Average molar mass
- 379.5 g/mol
Names & identifiers
- Preferred name
- 2-((1R,2S)-2-aminocyclohexylamino)-4-(1-methyl-1H-indol-4-ylamino)pyrimidine-5-carboxamide
- IUPAC
- 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide
Names & synonyms
SCHEMBL1353821CHEMBL5890962HHHUHYQAIWLPKG-GOEBONIOSA-NBDBM290818US9579320, Example 218(s)-4-(3-(2h-1,2,3-triazol-2-yl)phenylamino)-2-(1-amino-3-hydroxypropan-2-ylamino)pyrimidine-5-carboxamide2-((1R,2S)-2-aminocyclohexylamino)-4-(1-methyl-1H-indol-4-ylamino)pyrimidine-5-carboxamide
Database identifiers
- PubChem CID
- 57472011
- ChEMBL
CHEMBL5890962
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 547
Related reactions
4 records
Compound notes
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