1,6-dimethylpyrazolo[3,4-d]pyrimidine

C7H8N4 — CID 20720866

IUPAC1,6-dimethylpyrazolo[3,4-d]pyrimidine
SMILESCc1ncc2cnn(C)c2n1
InChIInChI=1S/C7H8N4/c1-5-8-3-6-4-9-11(2)7(6)10-5/h3-4H,1-2H3
InChIKeyDFMFWXDQDRPJPV-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.67
Rot. Bonds

About 1,6-dimethylpyrazolo[3,4-d]pyrimidine

1,6-dimethylpyrazolo[3,4-d]pyrimidine (PubChem CID 20720866) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 1,6-dimethylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1,6-dimethylpyrazolo[3,4-d]pyrimidine
PubChem CID20720866
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name1,6-dimethylpyrazolo[3,4-d]pyrimidine
SMILESCc1ncc2cnn(C)c2n1
InChIInChI=1S/C7H8N4/c1-5-8-3-6-4-9-11(2)7(6)10-5/h3-4H,1-2H3
InChIKeyDFMFWXDQDRPJPV-UHFFFAOYSA-N
XLogP0.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1,6-dimethylpyrazolo[3,4-d]pyrimidine (CID 20720866) is 1,6-dimethylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1,6-dimethylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1,6-dimethylpyrazolo[3,4-d]pyrimidine is Cc1ncc2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethylpyrazolo[3,4-d]pyrimidine?
The InChIKey is DFMFWXDQDRPJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-5-8-3-6-4-9-11(2)7(6)10-5/h3-4H,1-2H3.
What are the key properties of 1,6-dimethylpyrazolo[3,4-d]pyrimidine?
1,6-dimethylpyrazolo[3,4-d]pyrimidine has a molecular weight of 148.17 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 20720866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).