2,4-Diamino-5-(4-amino-3,5-dimethoxy-benzyl)-6-chloropyrimidine

HCID 21280993

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(Cc2c(N)nc(N)nc2Cl)cc(OC)c1N
InChIKey: FSDSJXANKWGXDI-UHFFFAOYSA-N
Molecular formula: C13H16ClN5O2
Average molar mass: 309.75 g/mol

Names & identifiers

Preferred name: 2,4-Diamino-5-(4-amino-3,5-dimethoxy-benzyl)-6-chloropyrimidine
IUPAC: 5-[(4-amino-3,5-dimethoxyphenyl)methyl]-6-chloropyrimidine-2,4-diamine

Names & synonyms

SCHEMBL10678576FSDSJXANKWGXDI-UHFFFAOYSA-N2,4-diamino-5-(4-amino-3,5-dimethoxy-benzyl)-6-chloro-pyrimidine2,4-diamino-5-(4-amino-3,5-dimethoxy-benzyl)-6-chloropyrimidine

Database identifiers

PubChem CID: 21280993

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 122 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 324

Related reactions

7 records

New reaction record

HRID 183874As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 414518As reactantuspto-grants-1988_12

HRID 462526As reactantuspto-grants-1985_05

HRID 462527As productuspto-grants-1985_05

HRID 542950As reactantuspto-grants-1987_04

HRID 542952As productuspto-grants-1987_04

HRID 1562072As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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