Basic information
- CAS
87789-61-5- Standard SMILES
c1ccc(COc2cnc(N3CCNCC3)nc2)cc1- InChIKey
NGCDQKNRWBVNTI-UHFFFAOYSA-N- Molecular formula
- C15H18N4O
- Average molar mass
- 270.33 g/mol
- Monoisotopic mass
- 270.14806121
Names & identifiers
- Preferred name
- 5-(Benzyloxy)-2-(piperazin-1-yl)pyrimidine
- IUPAC
- 5-phenylmethoxy-2-piperazin-1-ylpyrimidine
- English name
- 5-Benzyloxy-2-(1-piperazinyl)pyriMidine
- Molecular formula
- C15H18N4O
- Molecular weight
- 270.33
Names & synonyms
87789-61-55-(Benzyloxy)-2-(piperazin-1-yl)pyrimidineDTXSID50384382RefChem:300223DTXCID603354065-Benzyloxy-2-(1-piperazinyl)pyrimidine5-phenylmethoxy-2-piperazin-1-ylpyrimidine5-(Phenylmethoxy)-2-(1-piperazinyl)-pyrimidine;Maybridge2_000099SCHEMBL8106889NGCDQKNRWBVNTI-UHFFFAOYSA-NHMS1303E11
Show more names
5-(PhenylMethoxy)-2-(1-piperazinyl)-pyriMidinePyrimidine, 5-(phenylmethoxy)-2-(1-piperazinyl)-
CCG-472075-(benzyloxy)-2-piperazinopyrimidineAKOS016000805IDI1_001139AS-88383DB-3682625-Phenylmethoxy-2-(1-piperazinyl)pyrimidineH54969
Database identifiers
- CAS
87789-61-5- PubChem CID
- 2802901
- DTXSID
DTXSID50384382
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 95 · 95-96 °C
- Boiling point
- 469.8 · 469.8±55.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.57 · 8.57±0.10(Predicted)
- color
- White
Chemistry & industry
Applications
Uses5-Benzyloxy-2-(1-piperazinyl)pyriMidine is an intermediate used in the preparation of CNS agents.
Suppliers17 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南伊诺凯新材料有限公司15670530983 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
含山捷化生物科技有限公司0555-18055517827 18055517827 · [email protected]
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上海禹犇生物科技有限公司021-61350663 15502154572 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Related reactions
3 records
Compound notes
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