Basic information
- CAS
7139-02-8- Standard SMILES
Clc1nc(N2CCCCC2)c2nc(Cl)nc(N3CCCCC3)c2n1- InChIKey
PCVJQTVUJJJSRQ-UHFFFAOYSA-N- Molecular formula
- C16H20Cl2N6
- Average molar mass
- 367.3 g/mol
- Monoisotopic mass
- 366.1126501
Names & identifiers
- Preferred name
- 2,6-Dichloro-4,8-di(piperidin-1-yl)pyrimido(5,4-d)pyrimidine
- IUPAC
- 2,6-dichloro-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
- English name
- 2,6-Dichloro-4,8-dipiperidinopyrimidino[5,4-d]pyrimidine
- Molecular formula
- C16H20Cl2N6
- Molecular weight
- 367.28
Names & synonyms
7139-02-82,6-dichloro-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidineSN8015PESO2,6-Dichloro-4,8-dipiperidinopyrimido[5,4-d]pyrimidine2,6-Dichloro-4,8-di(piperidin-1-yl)pyrimido(5,4-d)pyrimidineEINECS 230-437-4DTXSID40221575DIPYRIDAMOLE IMPURITY G [EP IMPURITY]EC 230-437-42,6-Dichloro-4,8-dipiperidinopyrimido(5,4-d)pyrimidinePYRIMIDO(5,4-D)PYRIMIDINE, 2,6-DICHLORO-4,8-DIPIPERIDINO-DIPYRIDAMOLE IMPURITY G (EP IMPURITY)
Show more names
Dipyridamole EP GDipyridamole Impurity 7Dipyridamole Impurity 7（Dipyridamole EP Impurity G）2,6-dichloro-4,8-dipiperidinyl-pyrimido[5,4-d]pyrimidinePyriMido[5,4-d]pyriMidine,2,6-dichloro-4,8-di-1-piperidinyl-2,6-dichloro-4,8-bis(1-piperidinyl)pyrimido[5,4-d]pyrimidine2,6-Dichloro-4,8-di-(piperidin-l-yl)pyrimido[5,4-d] pyrimidine
RefChem:445390DTXCID70144066MFCD07779463Dipyridamole EP Impurity G2,6-Dichloro-4,8-dipiperidinopyrimidino[5,4-d]pyrimidineUNII-SN8015PESODS-40892,6-Dichloro-4,8-di-1-piperidinylpyrimido[5,4-d]pyrimidine
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
- Melting point
- 249 · 249-251℃
- Boiling point
- 504.1 · 504.1±50.0 °C(Predicted)
- Density
- 1.386 · 1.386±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Chloroform (Slightly)
- form
- Solid
- pka
- 2 · 2.00±0.30(Predicted)
- color
- Pale Yellow to Light Yellow
- InChI
- InChI=1S/C16H20Cl2N6/c17-15-20-12-11(13(21-15)23-7-3-1-4-8-23)19-16(18)22-14(12)24-9-5-2-6-10-24/h1-10H2
- InChIKey
- PCVJQTVUJJJSRQ-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(N2CCCCC2)=C2N=C(Cl)N=C(N3CCCCC3)C2=N1
- LogP
- 2 · 2
- FDA UNII
- 8015 PESO · SN8015PESO
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
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
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 2,6-dichloro-4,8-dipiperidinopyrimido[5,4-d]pyrimidine (EC: 230-437-4)
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302-H315-H319-H332-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
UsesAn antitumor nucleoside pyrimido pyrimidine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers90 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
Related reactions
9 records
Compound notes
Loading…