6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine

C14H14ClN5 — CID 135376996

IUPAC6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCc1cccc(C)c1Nc1nn(C)c2nc(Cl)ncc12
InChIInChI=1S/C14H14ClN5/c1-8-5-4-6-9(2)11(8)17-12-10-7-16-14(15)18-13(10)20(3)19-12/h4-7H,1-3H3,(H,17,19)
InChIKeyVMUFUDJPUMSUMP-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.38
Rot. Bonds2

About 6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine

6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 135376996) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID135376996
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCc1cccc(C)c1Nc1nn(C)c2nc(Cl)ncc12
InChIInChI=1S/C14H14ClN5/c1-8-5-4-6-9(2)11(8)17-12-10-7-16-14(15)18-13(10)20(3)19-12/h4-7H,1-3H3,(H,17,19)
InChIKeyVMUFUDJPUMSUMP-UHFFFAOYSA-N
XLogP3.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine (CID 135376996) is 6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine is Cc1cccc(C)c1Nc1nn(C)c2nc(Cl)ncc12.
What is the InChIKey of 6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is VMUFUDJPUMSUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-8-5-4-6-9(2)11(8)17-12-10-7-16-14(15)18-13(10)20(3)19-12/h4-7H,1-3H3,(H,17,19).
What are the key properties of 6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine?
6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 287.75 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 135376996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).