5-[(2,4-Dichlorophenyl)methyl]-2,4,6-pyrimidinetriamine
Basic information
- CAS
338965-10-9- Standard SMILES
Nc1nc(N)c(Cc2ccc(Cl)cc2Cl)c(N)n1- InChIKey
GFBHLXXDAXOPCJ-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2N5
- Average molar mass
- 284.14 g/mol
- Monoisotopic mass
- 283.0391508
Names & identifiers
- Preferred name
- 5-[(2,4-Dichlorophenyl)methyl]-2,4,6-pyrimidinetriamine
- IUPAC
- 5-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4,6-triamine
- English name
- 2,6-DIAMINO-5-(2,4-DICHLOROBENZYL)-4-PYRIMIDINYLAMINE
- Molecular formula
- C11H11Cl2N5
- Molecular weight
- 284.14
Names & synonyms
338965-10-95-[(2,4-Dichlorophenyl)methyl]-2,4,6-pyrimidinetriamine5-((2,4-Dichlorophenyl)methyl)-2,4,6-pyrimidinetriamineRefChem:2990485-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4,6-triamine2,6-diamino-5-(2,4-dichlorobenzyl)-4-pyrimidinylamineMFCD002316305-(2,4-dichlorobenzyl)pyrimidine-2,4,6-triamineMLS000691890SMR000333930Oprea1_621689CHEMBL1404984
Show more names
5-(2,4-DICHLOROBENZYL)-2,4,6-PYRIMIDINETRIAMINE2,4,6-Pyrimidinetriamine, 5-[(2,4-dichlorophenyl)methyl]-
BDBM73701cid_3522147DTXSID001205831AKOS0159931346K-012MLS-0251308.0001[2,6-diamino-5-(2,4-dichlorobenzyl)pyrimidin-4-yl]amine
Database identifiers
- CAS
338965-10-9- PubChem CID
- 3522147
- DTXSID
DTXSID001205831- ChEMBL
CHEMBL1404984- Nikkaji
- J3.645.073H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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