2-((1R,2S)-2-aminocyclohexylamino)-4-(1-methyl-1H-indol-4-ylamino)pyrimidine-5-carboxamide

HCID 57472011

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

Related reactions

4 records

Compound notes

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