(S)-4-(2-(2-Methoxypyrimidin-5-ylamino)-5-((2-methyl-4-(methylsulfonyl)piperazin-1-YL)methyl)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine

HCID 59548165
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ncc(Nc2ncc(CN3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc(N)n2)cn1
InChIKey
MZPJYULRLFXUFZ-ZDUSSCGKSA-N
Molecular formula
C21H28N10O3S
Average molar mass
500.6 g/mol

Names & identifiers

Preferred name
(S)-4-(2-(2-Methoxypyrimidin-5-ylamino)-5-((2-methyl-4-(methylsulfonyl)piperazin-1-YL)methyl)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
IUPAC
4-[2-[(2-methoxypyrimidin-5-yl)amino]-5-[[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

Names & synonyms

SCHEMBL167493CHEMBL3646607MZPJYULRLFXUFZ-ZDUSSCGKSA-NBDBM125464US8772480, 319(S)-4-(2-(2-METHOXYPYRIMIDIN-5-YLAMINO)-5-((2-METHYL-4-(METHYLSULFONYL)PIPERAZIN-1-YL)METHYL)PYRIDIN-3-YL)-6-METHYL-1,3,5-TRIAZIN-2-AMINE

Database identifiers

PubChem CID
59548165
ChEMBL
CHEMBL3646607

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
174 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
13
Rotatable bonds
7
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

Loading…