Completing data — usually done within a minute
Basic information
- CAS
7249-31-2- Standard SMILES
Cc1ccc(Nc2cc(Cl)nc(N)n2)cc1- InChIKey
KAUBSLPJWJEOKU-UHFFFAOYSA-N- Molecular formula
- C11H11ClN4
- Average molar mass
- 234.68 g/mol
- Monoisotopic mass
- 234.06722403
Names & identifiers
- Preferred name
- 6-Chloro-n4-(4-methylphenyl)pyrimidine-2,4-diamine
- IUPAC
- 6-chloro-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
Names & synonyms
7249-31-2NSC432746-Chloro-N4-(p-tolyl)pyrimidine-2,4-diamine6-chloro-N~4~-(4-methylphenyl)pyrimidine-2,4-diaminen-(2-amino-6-chloro-4-pyrimidinyl)-n-(4-methylphenyl)amine6-chloro-n4-(4-methylphenyl)pyrimidine-2,4-diamine2,4-Pyrimidinediamine, 6-chloro-N4-(4-methylphenyl)-6-chloro-4-N-(4-methylphenyl)pyrimidine-2,4-diamineSCHEMBL3233125DTXSID90285940KAUBSLPJWJEOKU-UHFFFAOYSA-NNSC-43274
Show more names
STL090049AKOS0030968306-chloro-N*4*-p-tolyl-pyrimidine-2,4-diamine6-chloro-N4-(4methylphenyl)-2,4-pyrimidinediamine6-chloro-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine6-CHLORO-N4-(4-METHYLPHENYL)-2,4-PYRIMIDINEDIAMINE
Database identifiers
- CAS
7249-31-2- PubChem CID
- 238748
- DTXSID
DTXSID90285940
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Related reactions
8 records
Compound notes
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