6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C11H7Cl2N5 — CID 82460127

IUPAC6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C11H7Cl2N5/c12-6-2-1-3-7(4-6)18-10-8(5-15-18)9(14)16-11(13)17-10/h1-5H,(H2,14,16,17)
InChIKeyFYBAAHDETOXXLX-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.70
Rot. Bonds1

About 6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 82460127) has the molecular formula C11H7Cl2N5 and a molecular weight of 280.12 g/mol. Its IUPAC name is 6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID82460127
Molecular FormulaC11H7Cl2N5
Molecular Weight280.12 g/mol
Exact Mass279.01
IUPAC Name6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C11H7Cl2N5/c12-6-2-1-3-7(4-6)18-10-8(5-15-18)9(14)16-11(13)17-10/h1-5H,(H2,14,16,17)
InChIKeyFYBAAHDETOXXLX-UHFFFAOYSA-N
XLogP2.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 82460127) is 6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(Cl)nc2c1cnn2-c1cccc(Cl)c1.
What is the InChIKey of 6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FYBAAHDETOXXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5/c12-6-2-1-3-7(4-6)18-10-8(5-15-18)9(14)16-11(13)17-10/h1-5H,(H2,14,16,17).
What are the key properties of 6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 280.12 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 82460127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).