2,4-Diamino-6-benzyloxy-s-triazine

HCID 35119

Notes Reactions

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Basic information

Standard SMILES: Nc1nc(N)nc(OCc2ccccc2)n1
InChIKey: FXXUYUZEWHFQJZ-UHFFFAOYSA-N
Molecular formula: C10H11N5O
Average molar mass: 217.23 g/mol

Names & identifiers

Preferred name: 2,4-Diamino-6-benzyloxy-s-triazine
IUPAC: 6-phenylmethoxy-1,3,5-triazine-2,4-diamine

Names & synonyms

SCHEMBL808424CHEMBL121373FXXUYUZEWHFQJZ-UHFFFAOYSA-N2,4-Diamino-6-benzyloxy-s-triazine

Database identifiers

PubChem CID: 35119
ChEMBL: CHEMBL121373
Nikkaji: J634.532H

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 99.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 199

Related reactions

9 records

New reaction record

HRID 260053 reaction equation

HRID 260053As productuspto-grants-1996_06

HRID 288201 reaction equation

HRID 288201As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 380341 reaction equation

HRID 380341As productuspto-grants-2001_10

HRID 565273 reaction equation

HRID 565273As productuspto-grants-2001_01

HRID 619223 reaction equation

HRID 619223As productuspto-grants-1999_09

HRID 1290874 reaction equation

HRID 1290874As productuspto-grants-1998_05

HRID 1416918 reaction equation

HRID 1416918As productuspto-grants-1999_06

HRID 2270993 reaction equation

HRID 2270993As productuspto-grants-2001_12

Compound notes

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