1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C18H17N5O — CID 866422

IUPAC1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)c(C)c1
InChIInChI=1S/C18H17N5O/c1-12-5-6-16(13(2)8-12)23-18-15(10-22-23)17(20-11-21-18)19-9-14-4-3-7-24-14/h3-8,10-11H,9H2,1-2H3,(H,19,20,21)
InChIKeyQSXITEMSVQUYHF-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.64
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 866422) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID866422
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)c(C)c1
InChIInChI=1S/C18H17N5O/c1-12-5-6-16(13(2)8-12)23-18-15(10-22-23)17(20-11-21-18)19-9-14-4-3-7-24-14/h3-8,10-11H,9H2,1-2H3,(H,19,20,21)
InChIKeyQSXITEMSVQUYHF-UHFFFAOYSA-N
XLogP3.64
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 866422) is 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QSXITEMSVQUYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-5-6-16(13(2)8-12)23-18-15(10-22-23)17(20-11-21-18)19-9-14-4-3-7-24-14/h3-8,10-11H,9H2,1-2H3,(H,19,20,21).
What are the key properties of 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 319.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 866422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).