4-(Piperazin-1-yl)pyrimidin-2-amine
Basic information
- CAS
59215-38-2- Standard SMILES
Nc1nccc(N2CCNCC2)n1- InChIKey
DWNUPEANFAMUBK-UHFFFAOYSA-N- Molecular formula
- C8H13N5
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.11709544
Names & identifiers
- Preferred name
- 4-(Piperazin-1-yl)pyrimidin-2-amine
- IUPAC
- 4-piperazin-1-ylpyrimidin-2-amine
- English name
- 2-Pyrimidinamine,4-(1-piperazinyl)-(9CI)
- Molecular formula
- C8H13N5
- Molecular weight
- 179.22
Names & synonyms
4-(piperazin-1-yl)pyrimidin-2-amine59215-38-24-piperazin-1-ylpyrimidin-2-amineSCHEMBL2167882CHEMBL3694842DTXSID90974645WLZ3890BDBM128119AKOS0063111984-(Piperazin-1-yl)pyrimidin-2(1H)-imineEN300-4292608US8796297, 25
Show more names
6-PIPERAZIN-1-YLPYRAZIN-2-AMINE4-(1-Piperazinyl)-2-pyrimidinamine2-Pyrimidinamine, 4-(1-piperazinyl)-4-(Piperazin-1-yl)-pyrimidin-2-ylamine2-Pyrimidinamine,4-(1-piperazinyl)-(9CI)4-(piperazin-1-yl)pyrimidin-2-amine trihydrochloride
Database identifiers
- CAS
59215-38-2- PubChem CID
- 19969682
- DTXSID
DTXSID90974645- ChEMBL
CHEMBL3694842
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 436.702 · 436.702±48.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.575 · 8.575±0.10(predicted)
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Compound notes
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