N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)pyridin-2-ylamino)-2-methylpyridin-3-YL)methanesulfonamide

HCID 59548449

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1nc(N)nc(-c2cccnc2Nc2cnc(C)c(NS(C)(=O)=O)c2)n1
InChIKey: SMFABTNYZYNSJL-UHFFFAOYSA-N
Molecular formula: C16H18N8O2S
Average molar mass: 386.4 g/mol

Names & identifiers

Preferred name: N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)pyridin-2-ylamino)-2-methylpyridin-3-YL)methanesulfonamide
IUPAC: N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide

Names & synonyms

SCHEMBL157475CHEMBL3649469SMFABTNYZYNSJL-UHFFFAOYSA-NBDBM125508US8772480, 377N-(5-(3-(4-AMINO-6-METHYL-1,3,5-TRIAZIN-2-YL)PYRIDIN-2-YLAMINO)-2-METHYLPYRIDIN-3-YL)METHANESULFONAMIDE

Database identifiers

PubChem CID: 59548449
ChEMBL: CHEMBL3649469

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 157 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 10
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 585

Related reactions

3 records

New reaction record

HRID 148855As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1622022As productuspto-grants-2014_07

HRID 1812431As productuspto-grants-2013_01

Compound notes

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