4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine

C8H9ClN4 — CID 59594463

IUPAC4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine
SMILESCC(C)n1cc2c(Cl)ncnc2n1
InChIInChI=1S/C8H9ClN4/c1-5(2)13-3-6-7(9)10-4-11-8(6)12-13/h3-5H,1-2H3
InChIKeyHEXOVJIDGIGIIC-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.06
Rot. Bonds1

About 4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine

4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine (PubChem CID 59594463) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine
PubChem CID59594463
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine
SMILESCC(C)n1cc2c(Cl)ncnc2n1
InChIInChI=1S/C8H9ClN4/c1-5(2)13-3-6-7(9)10-4-11-8(6)12-13/h3-5H,1-2H3
InChIKeyHEXOVJIDGIGIIC-UHFFFAOYSA-N
XLogP2.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine (CID 59594463) is 4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine is CC(C)n1cc2c(Cl)ncnc2n1.
What is the InChIKey of 4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine?
The InChIKey is HEXOVJIDGIGIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-5(2)13-3-6-7(9)10-4-11-8(6)12-13/h3-5H,1-2H3.
What are the key properties of 4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine?
4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine has a molecular weight of 196.64 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 59594463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).