3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine

C13H20N4 — CID 176799670

IUPAC3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine
SMILESCC(C)(C)c1ncnc2c(C(C)(C)C)[nH]nc12
InChIInChI=1S/C13H20N4/c1-12(2,3)10-9-8(14-7-15-10)11(17-16-9)13(4,5)6/h7H,1-6H3,(H,16,17)
InChIKeyHDPKXYTZYRRHEC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.95
Rot. Bonds

About 3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine

3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine (PubChem CID 176799670) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine
PubChem CID176799670
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine
SMILESCC(C)(C)c1ncnc2c(C(C)(C)C)[nH]nc12
InChIInChI=1S/C13H20N4/c1-12(2,3)10-9-8(14-7-15-10)11(17-16-9)13(4,5)6/h7H,1-6H3,(H,16,17)
InChIKeyHDPKXYTZYRRHEC-UHFFFAOYSA-N
XLogP2.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

3,6-ditert-butyl-7-methyl-2H-pyrazolo[4,3-c]pyridine
CID 167379586
3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 55271281
4,6-ditert-butyl-5-propan-2-ylpyrimidine
CID 59616923
nickel;tris(3,5-ditert-butyl-1H-pyrazol-4-yl)borane;hydrochloride
CID 87146729
3-tert-butyl-7-(trifluoromethyl)-2H-indazole
CID 58087989
4-tert-butyl-5-fluoro-6-methylpyrimidine
CID 91170661
5,6-ditert-butylpyrimidin-4-amine
CID 59120613
3-tert-butyl-5-(2-chloroethyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 136657255
3-tert-butyl-5-chloro-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
CID 90879965
5-tert-butyl-1H-pyrazole-3,4-diamine
CID 23298694
3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane
CID 161040738
3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine
CID 170900189

Frequently Asked Questions

What is the IUPAC name of 3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine (CID 176799670) is 3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine is CC(C)(C)c1ncnc2c(C(C)(C)C)[nH]nc12.
What is the InChIKey of 3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is HDPKXYTZYRRHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-12(2,3)10-9-8(14-7-15-10)11(17-16-9)13(4,5)6/h7H,1-6H3,(H,16,17).
What are the key properties of 3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine?
3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 232.33 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 176799670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).