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

C12H9Cl2N5 — CID 82460182

IUPAC6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(-n2ncc3c(N)nc(Cl)nc32)ccc1Cl
InChIInChI=1S/C12H9Cl2N5/c1-6-4-7(2-3-9(6)13)19-11-8(5-16-19)10(15)17-12(14)18-11/h2-5H,1H3,(H2,15,17,18)
InChIKeyZGRVPZFBCBMXOH-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.01
Rot. Bonds1

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

6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 82460182) has the molecular formula C12H9Cl2N5 and a molecular weight of 294.15 g/mol. Its IUPAC name is 6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID82460182
Molecular FormulaC12H9Cl2N5
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(-n2ncc3c(N)nc(Cl)nc32)ccc1Cl
InChIInChI=1S/C12H9Cl2N5/c1-6-4-7(2-3-9(6)13)19-11-8(5-16-19)10(15)17-12(14)18-11/h2-5H,1H3,(H2,15,17,18)
InChIKeyZGRVPZFBCBMXOH-UHFFFAOYSA-N
XLogP3.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 82460182) is 6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(-n2ncc3c(N)nc(Cl)nc32)ccc1Cl.
What is the InChIKey of 6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZGRVPZFBCBMXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5/c1-6-4-7(2-3-9(6)13)19-11-8(5-16-19)10(15)17-12(14)18-11/h2-5H,1H3,(H2,15,17,18).
What are the key properties of 6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 294.15 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-chloro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 82460182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).