Basic information
- CAS
123240-43-7- Standard SMILES
CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccccc2)c(N)c1- InChIKey
QGDDCYRVMFKJMA-UHFFFAOYSA-N- Molecular formula
- C20H24N6
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.20624479
Names & identifiers
- Preferred name
- 2,4-Pyrimidinediamine, 5-(3-amino-4-(methyl(phenylmethyl)amino)phenyl)-6-ethyl-
- IUPAC
- 5-[3-amino-4-[benzyl(methyl)amino]phenyl]-6-ethylpyrimidine-2,4-diamine
Names & synonyms
123240-43-7EF9PQ0J2Z12,4-Pyrimidinediamine, 5-(3-amino-4-(methyl(phenylmethyl)amino)phenyl)-6-ethyl-NSC382036UNII-EF9PQ0J2Z1NSC 382036NSC-3820365-(3-amino-4-(benzyl-methyl-amino)-phenyl)-6-ethyl-pyrimidine-2,4-diamine5-(3-Amino-4-(methyl(phenylmethyl)amino)phenyl)-6-ethyl-2,4-pyrimidinediamine2,4-Pyrimidinediamine, 5-[3-amino-4-[methyl(phenylmethyl)amino]phenyl]-6-ethyl-5-[3-amino-4-(benzyl-methyl-amino)-phenyl]-6-ethyl-pyrimidine-2,4-diamineCHEMBL79407
Show more names
DTXSID201539065-{3-AMINO-4-[BENZYL(METHYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE5-[3-amino-4-[benzyl(methyl)amino]phenyl]-6-ethyl-pyrimidine-2,4-diamine
Database identifiers
- CAS
123240-43-7- PubChem CID
- 343085
- DTXSID
DTXSID20153906- ChEMBL
CHEMBL79407- UNII
- EF9PQ0J2Z1
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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