6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
Basic information
- CAS
4940-96-9- Standard SMILES
CN1CCN(c2cc(N)nc(N)n2)CC1- InChIKey
RBHNSRTVBDSNLG-UHFFFAOYSA-N- Molecular formula
- C9H16N6
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.14364454
Names & identifiers
- Preferred name
- 6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
- IUPAC
- 6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
Names & synonyms
4940-96-96-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamineCHEMBL4736626-(4-Methyl-1-piperazinyl)-2,4-pyrimidinediamine2,4-Pyrimidinediamine, 6-(4-methyl-1-piperazinyl)-UQN36XF25ZSCHEMBL2169898SCHEMBL30488018BDBM50304501CCG-24528AKOS000670805PD182755
Show more names
VU0047515-1
Database identifiers
- CAS
4940-96-9- PubChem CID
- 753256
- ChEMBL
CHEMBL473662- UNII
- UQN36XF25Z
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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