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

HCID 59548359

Notes Reactions

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Basic information

Standard SMILES: Cc1nc(N)nc(-c2cc(C(C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1
InChIKey: ZTTNCSHFSRNEAI-UHFFFAOYSA-N
Molecular formula: C21H26ClN9O3S
Average molar mass: 520 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL165990CHEMBL3646636ZTTNCSHFSRNEAI-UHFFFAOYSA-NBDBM125500US8772480, 369N-(5-(3-(4-AMINO-6-METHYL-1,3,5-TRIAZIN-2-YL)-5-(1-MORPHOLINOETHYL)PYRIDIN-2-YLAMINO)-2-CHLOROPYRIDIN-3-YL)METHANESULFONAMIDE

Database identifiers

PubChem CID: 59548359
ChEMBL: CHEMBL3646636

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 170 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 12
Rotatable bonds: 7
Heavy atoms: 35
Formal charge: 0
Complexity: 784

Related reactions

3 records

New reaction record

HRID 105858As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1622016As productuspto-grants-2014_07

HRID 1812425As productuspto-grants-2013_01

Compound notes

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