4-[4-(4-Methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
Basic information
- CAS
338975-79-4- Standard SMILES
CN1CCN(c2ccc(-c3ccnc(N)n3)cc2)CC1- InChIKey
QLUMPXNBZQGDEZ-UHFFFAOYSA-N- Molecular formula
- C15H19N5
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.16404563
Names & identifiers
- Preferred name
- 4-[4-(4-Methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
- IUPAC
- 4-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
- English name
- BIONET-BB 9B-132
- Molecular formula
- C15H19N5
- Molecular weight
- 269.34
Names & synonyms
4-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine338975-79-4MFCD001387854-(4-(4-Methylpiperazin-1-yl)phenyl)pyrimidin-2-amine4-[4-(4-MethylpiperaZino)phenyl]-2-pyrimidinamineOprea1_467321SCHEMBL30570935AKOS005104667CS-03600789B-132BIONET-BB 9B-1322-Pyrimidinamine, 4-[4-(4-methyl-1-piperazinyl)phenyl]-
Database identifiers
- CAS
338975-79-4- PubChem CID
- 4229546
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 512.6 · 512.6±60.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- pka
- 7.53 · 7.53±0.42(Predicted)
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933599590
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Related reactions
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Compound notes
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