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Basic information
- Standard SMILES
CCNc1cc(Nc2ccc(N3CCN(C)CC3)cc2)ncn1- InChIKey
VHGYHMSXNHWHRH-UHFFFAOYSA-N- Molecular formula
- C17H24N6
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.20624479
Names & identifiers
- Preferred name
- N-Ethyl-N'-[4-(4-methyl-piperazin-1-yl)-phenyl]-pyrimidine-4,6-diamine
- IUPAC
- 6-N-ethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
Names & synonyms
SCHEMBL374420VHGYHMSXNHWHRH-UHFFFAOYSA-NN-Ethyl-N'-[4-(4-methyl-piperazin-1-yl)-phenyl]-pyrimidine-4,6-diamine
Database identifiers
- PubChem CID
- 57710339
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 336
Related reactions
2 records
Compound notes
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