1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H19N5S — CID 51699853

IUPAC1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(C)c(-n2ncc3c(NCCc4cccs4)ncnc32)c1
InChIInChI=1S/C19H19N5S/c1-13-5-6-14(2)17(10-13)24-19-16(11-23-24)18(21-12-22-19)20-8-7-15-4-3-9-25-15/h3-6,9-12H,7-8H2,1-2H3,(H,20,21,22)
InChIKeyIIFOWZCKMAGDKU-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.15
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 51699853) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID51699853
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(C)c(-n2ncc3c(NCCc4cccs4)ncnc32)c1
InChIInChI=1S/C19H19N5S/c1-13-5-6-14(2)17(10-13)24-19-16(11-23-24)18(21-12-22-19)20-8-7-15-4-3-9-25-15/h3-6,9-12H,7-8H2,1-2H3,(H,20,21,22)
InChIKeyIIFOWZCKMAGDKU-UHFFFAOYSA-N
XLogP4.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 51699853) is 1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(C)c(-n2ncc3c(NCCc4cccs4)ncnc32)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IIFOWZCKMAGDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-13-5-6-14(2)17(10-13)24-19-16(11-23-24)18(21-12-22-19)20-8-7-15-4-3-9-25-15/h3-6,9-12H,7-8H2,1-2H3,(H,20,21,22).
What are the key properties of 1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 349.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 51699853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).