Basic information
- CAS
114374-67-3- Standard SMILES
Cc1ccccc1Cc1cnc(N)nc1N- InChIKey
VRTCFOPMHZILGL-UHFFFAOYSA-N- Molecular formula
- C12H14N4
- Average molar mass
- 214.27 g/mol
- Monoisotopic mass
- 214.12184646
Names & identifiers
- Preferred name
- 2,4-Pyrimidinediamine, 5-[(methylphenyl)methyl]-
- IUPAC
- 5-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
Names & synonyms
114374-67-3CHEMBL1359842,4-Pyrimidinediamine, 5-[(methylphenyl)methyl]-5-[(2-methylphenyl)methyl]pyrimidine-2,4-diamineDTXSID00443079BDBM50471883
Database identifiers
- CAS
114374-67-3- PubChem CID
- 10656265
- DTXSID
DTXSID00443079- ChEMBL
CHEMBL135984- Nikkaji
- J1.026.855I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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