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

C8H10N4 — CID 58861824

IUPAC1,3,6-trimethylpyrazolo[3,4-d]pyrimidine
SMILESCc1ncc2c(C)nn(C)c2n1
InChIInChI=1S/C8H10N4/c1-5-7-4-9-6(2)10-8(7)12(3)11-5/h4H,1-3H3
InChIKeyBDBBFEBCNHBSMQ-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.98
Rot. Bonds

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

1,3,6-trimethylpyrazolo[3,4-d]pyrimidine (PubChem CID 58861824) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1,3,6-trimethylpyrazolo[3,4-d]pyrimidine
PubChem CID58861824
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name1,3,6-trimethylpyrazolo[3,4-d]pyrimidine
SMILESCc1ncc2c(C)nn(C)c2n1
InChIInChI=1S/C8H10N4/c1-5-7-4-9-6(2)10-8(7)12(3)11-5/h4H,1-3H3
InChIKeyBDBBFEBCNHBSMQ-UHFFFAOYSA-N
XLogP0.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine (CID 58861824) is 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine is Cc1ncc2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine?
The InChIKey is BDBBFEBCNHBSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-5-7-4-9-6(2)10-8(7)12(3)11-5/h4H,1-3H3.
What are the key properties of 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine?
1,3,6-trimethylpyrazolo[3,4-d]pyrimidine has a molecular weight of 162.20 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 58861824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).