4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine

C7H7ClN4 — CID 13125572

IUPAC4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCc1nn(C)c2ncnc(Cl)c12
InChIInChI=1S/C7H7ClN4/c1-4-5-6(8)9-3-10-7(5)12(2)11-4/h3H,1-2H3
InChIKeyRKCUSLQIKDPCGC-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.33
Rot. Bonds

About 4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine

4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine (PubChem CID 13125572) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine
PubChem CID13125572
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCc1nn(C)c2ncnc(Cl)c12
InChIInChI=1S/C7H7ClN4/c1-4-5-6(8)9-3-10-7(5)12(2)11-4/h3H,1-2H3
InChIKeyRKCUSLQIKDPCGC-UHFFFAOYSA-N
XLogP1.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine (CID 13125572) is 4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine is Cc1nn(C)c2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine?
The InChIKey is RKCUSLQIKDPCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-4-5-6(8)9-3-10-7(5)12(2)11-4/h3H,1-2H3.
What are the key properties of 4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine?
4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine has a molecular weight of 182.61 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 13125572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).