Basic information
- CAS
84746-24-7- Standard SMILES
c1cnc(N2CCN(c3ncccn3)CC2)nc1- InChIKey
CGDIIYVMINKXRL-UHFFFAOYSA-N- Molecular formula
- C12H14N6
- Average molar mass
- 242.28 g/mol
- Monoisotopic mass
- 242.12799447
Names & identifiers
- Preferred name
- 1,4-Di(pyrimidin-2-yl)piperazine
- IUPAC
- 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
- English name
- 2,2'-(1,4-Piperazinediyl)bis-pyrimidine
- Molecular formula
- C12H14N6
- Molecular weight
- 242.28
Names & synonyms
84746-24-71,4-Di(pyrimidin-2-yl)piperazineXZ3J1GA4R4UNII-XZ3J1GA4R4Pyrimidine, 2,2'-(1,4-piperazinediyl)bis-2,2'-(1,4-Piperazinediyl)bis [PYRIMIDINE]BUSPIRONE HYDROCHLORIDE IMPURITY G [EP IMPURITY]2,2'-(1,4-PIPERAZINEDIYL)BIS (PYRIMIDINE)BUSPIRONE HYDROCHLORIDE IMPURITY G (EP IMPURITY)RefChem:1968222-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrimidineBuspirone EP Impurity G
Show more names
Buspirone impurity GButhyrolactone impurity1,4-di-pyrimidin-2-yl-piperazineBuspirone USP Related Compound GBuspirone Hydrochloride Impurity G2,2'-(Piperazine-1,4-diyl)dipyrimidBuspirone Hydrochloride EP Impurity G2,2'-(Piperazine-1,4-diyl)dipyrimidine
2,2'-(1,4-Piperazinediyl)bis-pyrimidine2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidineBuspirone Related Compound G2,2'-(1,4-Piperazinediyl)bis[pyrimidine]2,2 inverted exclamation marka-(Piperazine-1,4-diyl)dipyrimidine2,2'-(Piperazine-1,4-diyl)dipyrimidine; Buspirone Hydrochloride Imp. G (EP); Buspirone Related Compound G; Buspirone Hydrochloride Impurity G; Buspirone Impurity GMFCD04208147Buspirone EP Imp G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 273 · 273-274 °C
- Boiling point
- 480.7 · 480.7±55.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly, Heated)
- form
- Solid
- pka
- 5.17 · 5.17±0.33(Predicted)
- color
- White to Off-White
- Major Application
- pharmaceutical small molecule
- InChI
- 1S/C12H14N6/c1-3-13-11(14-4-1)17-7-9-18(10-8-17)12-15-5-2-6-16-12/h1-6H,7-10H2
- InChIKey
- CGDIIYVMINKXRL-UHFFFAOYSA-N
- SMILES
- N2(CCN(CC2)c3ncccn3)c1ncccn1
- FDA UNII
- 3 J1GA4R4 · XZ3J1GA4R4
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933599550
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2,2’-(1,4-Piperazinediyl)bis-pyrimidine is an impurity of Buspirone (B689850), an non-benzodiazepine anxiolytic; 5-hydroxytryptamine (5-HT1) receptor agonist.
Uses2,2'-(1,4-Piperazinediyl)bis-pyrimidine is an impurity of Buspirone (B689850), an non-benzodiazepine anxiolytic; 5-hydroxytryptamine (5-HT1) receptor agonist.
Suppliers66 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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