5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine

C6H4Cl2N4 — CID 57415862

IUPAC5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine
SMILESCn1ncc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C6H4Cl2N4/c1-12-4-3(2-9-12)10-6(8)11-5(4)7/h2H,1H3
InChIKeyILSHTSRLVMUZKS-UHFFFAOYSA-N
MW203.03 g/mol
LogP1.67
Rot. Bonds

About 5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine

5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine (PubChem CID 57415862) has the molecular formula C6H4Cl2N4 and a molecular weight of 203.03 g/mol. Its IUPAC name is 5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine
PubChem CID57415862
Molecular FormulaC6H4Cl2N4
Molecular Weight203.03 g/mol
Exact Mass201.98
IUPAC Name5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine
SMILESCn1ncc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C6H4Cl2N4/c1-12-4-3(2-9-12)10-6(8)11-5(4)7/h2H,1H3
InChIKeyILSHTSRLVMUZKS-UHFFFAOYSA-N
XLogP1.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Imidazo[4,5-d]pyridazine
CID 5370875
1H-Pyrazolo(4,3-d)pyrimidin-7-amine
CID 96600
4-chloro-7-ethyl-7H-imidazo(4,5-c)pyridazine
CID 55296765
4,7-dichloro-1-methyl-1H-imidazo[4,5-d]pyridazine
CID 222925
7-Chloro-1-methyl-1H-pyrazolo(4,3-d)pyrimidine
CID 44558545
1-methyl-1H-pyrazolo(4,3-d)pyrimidin-7-amine
CID 45080196
5-Chloro-1H-pyrazolo(4,3-d)pyrimidine
CID 59796947
7-Chloro-1H-pyrazolo(4,3-d)pyrimidine
CID 66570657
7-chloro-1,5-dimethyl-1H-pyrazolo(4,3-d)pyrimidine
CID 83669544
1H-pyrazolo(4,3-d)pyrimidine
CID 21083976
6-Chloro-2-methylimidazo[1,2-b]pyridazin-8-amine
CID 168444628
3-Chloro-1H-pyrazolo[4,3-d]pyrimidine
CID 53630449

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine (CID 57415862) is 5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine is Cn1ncc2nc(Cl)nc(Cl)c21.
What is the InChIKey of 5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine?
The InChIKey is ILSHTSRLVMUZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N4/c1-12-4-3(2-9-12)10-6(8)11-5(4)7/h2H,1H3.
What are the key properties of 5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine?
5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine has a molecular weight of 203.03 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 57415862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).