4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine

C8H8Cl2N4 — CID 76847035

IUPAC4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCC(C)c1[nH]nc2nc(Cl)nc(Cl)c12
InChIInChI=1S/C8H8Cl2N4/c1-3(2)5-4-6(9)11-8(10)12-7(4)14-13-5/h3H,1-2H3,(H,11,12,13,14)
InChIKeyHJCVCIYLKUNPOS-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.78
Rot. Bonds1

About 4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine

4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 76847035) has the molecular formula C8H8Cl2N4 and a molecular weight of 231.09 g/mol. Its IUPAC name is 4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID76847035
Molecular FormulaC8H8Cl2N4
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCC(C)c1[nH]nc2nc(Cl)nc(Cl)c12
InChIInChI=1S/C8H8Cl2N4/c1-3(2)5-4-6(9)11-8(10)12-7(4)14-13-5/h3H,1-2H3,(H,11,12,13,14)
InChIKeyHJCVCIYLKUNPOS-UHFFFAOYSA-N
XLogP2.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine (CID 76847035) is 4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine is CC(C)c1[nH]nc2nc(Cl)nc(Cl)c12.
What is the InChIKey of 4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is HJCVCIYLKUNPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4/c1-3(2)5-4-6(9)11-8(10)12-7(4)14-13-5/h3H,1-2H3,(H,11,12,13,14).
What are the key properties of 4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 231.09 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 76847035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).