Basic information
- CAS
1189450-21-2- Standard SMILES
[2H]C1([2H])N(c2nc(Cl)nc3c(N4C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C4([2H])[2H])nc(Cl)nc23)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]- InChIKey
PCVJQTVUJJJSRQ-KHKAULECSA-N- Molecular formula
- C16H20Cl2N6
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 386.238185
Names & identifiers
- Preferred name
- 2,6-Dichloro-4,8-(dipiperidino-d20)pyrimido[5,4-d]pyrimidine
- IUPAC
- 2,6-dichloro-4,8-bis(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)pyrimido[5,4-d]pyrimidine
- English name
- 2,6-Dichloro-4,8-(dipiperidino-D20)-pyrimido[5,4-d]pyrimidine
- Molecular formula
- C16D20Cl2N6
- Molecular weight
- 387.39943556
Names & synonyms
1189450-21-22,6-Dichloro-4,8-(dipiperidino-d20)pyrimido[5,4-d]pyrimidine2,6-Dichloro-4,8-(dipiperidino-d20)-pyrimido[5,4-d]pyrimidine2,6-dichloro-4,8-bis(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)pyrimido[5,4-d]pyrimidineDTXSID40661912HY-132663SCS-02021912,6-Dichloro-4,8-bis[(~2~H_10_)piperidin-1-yl]pyrimido[5,4-d]pyrimidine2,6-Dichloro-4,8-(di-1-piperidinyl-d10)-pyrimido[5,4-d]pyrimidine
Database identifiers
- CAS
1189450-21-2- PubChem CID
- 45038966
- DTXSID
DTXSID40661912
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- solubility
- Chloroform, Dichloromethane, Dimethyl Sulfoxide, Methanol
- form
- Solid
- color
- Beige
Chemistry & industry
Applications
UsesAn antitumor nucleoside pyrimido pyrimidine
Suppliers6 total
上海陶素生化科技有限公司021-33632979 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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