3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine

C8H10N4 — CID 20604306

IUPAC3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCC(C)c1[nH]nc2ncncc12
InChIInChI=1S/C8H10N4/c1-5(2)7-6-3-9-4-10-8(6)12-11-7/h3-5H,1-2H3,(H,9,10,11,12)
InChIKeyHYWPQFUVYMMUQM-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.48
Rot. Bonds1

About 3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine

3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 20604306) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID20604306
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCC(C)c1[nH]nc2ncncc12
InChIInChI=1S/C8H10N4/c1-5(2)7-6-3-9-4-10-8(6)12-11-7/h3-5H,1-2H3,(H,9,10,11,12)
InChIKeyHYWPQFUVYMMUQM-UHFFFAOYSA-N
XLogP1.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine (CID 20604306) is 3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine is CC(C)c1[nH]nc2ncncc12.
What is the InChIKey of 3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is HYWPQFUVYMMUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-5(2)7-6-3-9-4-10-8(6)12-11-7/h3-5H,1-2H3,(H,9,10,11,12).
What are the key properties of 3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 162.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 20604306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).