4-chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine

HCID 239498CAS 91446-15-0
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1ncnc2c1cnn2C1CCCCO1
InChIKey
JVPZYGIDOLOTSM-UHFFFAOYSA-N
Molecular formula
C10H11ClN4O
Average molar mass
238.67 g/mol
Monoisotopic mass
238.06213865

Names & identifiers

Preferred name
4-chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine
IUPAC
4-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine
English name
4-chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyriMidine
Molecular formula
C10H11ClN4O
Molecular weight
238.67

Names & synonyms

4-chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine91446-15-04-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidineMFCD225707024-Chloro-1-(oxan-2-yl)-1H-pyrazolo[3,4-d]pyrimidine4-chloro-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidineNSC44595SCHEMBL1128620DTXSID80286289JVPZYGIDOLOTSM-UHFFFAOYSA-NNSC-44595AKOS016011761
Show more names
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-(tetrahydro-2H-pyran-2-yl)-
DB-357901CS-0319120F320782A1-259894-chloro-1-tetrahydropyran-2-yl-pyrazolo[3,4-d]pyrimidine4-chloro-1-(tetrahydropyran-2-yl)-pyrazolo[3,4-d]pyrimidine4-Chloro-1-(tetrahydropyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine4-chloro-1-tetrahydro-2H-pyran-2-yl-1H-pyrazolo[3,4-d]pyrimidine

Database identifiers

CAS
91446-15-0
PubChem CID
239498
DTXSID
DTXSID80286289

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
52.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16

Physicochemical properties

Melting point
101 · 101-102 °C
Boiling point
406.5 · 406.5±45.0 °C(Predicted)
Density
1.6 · 1.60±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
1.52 · 1.52±0.30(Predicted)
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers8 total

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Shangchem Co., Ltd.+86-21-68182121
上海景颜化工科技有限公司13817811078 · [email protected]
skychemical Co.Ltd021-20958197 20965099 · [email protected]
上海宸香医药科技有限公司021-20960837 · [email protected]

Related reactions

12 records
New reaction record

Linked notes

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