2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine

C16H20N4 — CID 171974754

IUPAC2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2ncc(C3=CC4CCCC(C3)N4C)cn2n1
InChIInChI=1S/C16H20N4/c1-11-6-16-17-9-13(10-20(16)18-11)12-7-14-4-3-5-15(8-12)19(14)2/h6-7,9-10,14-15H,3-5,8H2,1-2H3
InChIKeyWGKKUZDCLXSIRM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.68
Rot. Bonds1

About 2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine

2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 171974754) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID171974754
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2ncc(C3=CC4CCCC(C3)N4C)cn2n1
InChIInChI=1S/C16H20N4/c1-11-6-16-17-9-13(10-20(16)18-11)12-7-14-4-3-5-15(8-12)19(14)2/h6-7,9-10,14-15H,3-5,8H2,1-2H3
InChIKeyWGKKUZDCLXSIRM-UHFFFAOYSA-N
XLogP2.68
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine (CID 171974754) is 2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine is Cc1cc2ncc(C3=CC4CCCC(C3)N4C)cn2n1.
What is the InChIKey of 2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WGKKUZDCLXSIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-6-16-17-9-13(10-20(16)18-11)12-7-14-4-3-5-15(8-12)19(14)2/h6-7,9-10,14-15H,3-5,8H2,1-2H3.
What are the key properties of 2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine?
2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 268.36 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 171974754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).