2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine

C9H12N4 — CID 166898162

IUPAC2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine
SMILESCc1nc(C)c2nn(C)c(C)c2n1
InChIInChI=1S/C9H12N4/c1-5-8-9(11-7(3)10-5)6(2)13(4)12-8/h1-4H3
InChIKeyPQIFIAMNFACCLK-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.29
Rot. Bonds

About 2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine

2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine (PubChem CID 166898162) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine
PubChem CID166898162
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine
SMILESCc1nc(C)c2nn(C)c(C)c2n1
InChIInChI=1S/C9H12N4/c1-5-8-9(11-7(3)10-5)6(2)13(4)12-8/h1-4H3
InChIKeyPQIFIAMNFACCLK-UHFFFAOYSA-N
XLogP1.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine?
The IUPAC name of 2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine (CID 166898162) is 2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine is Cc1nc(C)c2nn(C)c(C)c2n1.
What is the InChIKey of 2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine?
The InChIKey is PQIFIAMNFACCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-5-8-9(11-7(3)10-5)6(2)13(4)12-8/h1-4H3.
What are the key properties of 2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine?
2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine has a molecular weight of 176.22 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetramethylpyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 166898162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).