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

C17H15N5O — CID 651202

IUPAC1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(Cn2ncc3c(NCc4ccco4)ncnc32)cc1
InChIInChI=1S/C17H15N5O/c1-2-5-13(6-3-1)11-22-17-15(10-21-22)16(19-12-20-17)18-9-14-7-4-8-23-14/h1-8,10,12H,9,11H2,(H,18,19,20)
InChIKeyJMAQRWJDTVOWEA-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.08
Rot. Bonds5

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

1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 651202) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID651202
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(Cn2ncc3c(NCc4ccco4)ncnc32)cc1
InChIInChI=1S/C17H15N5O/c1-2-5-13(6-3-1)11-22-17-15(10-21-22)16(19-12-20-17)18-9-14-7-4-8-23-14/h1-8,10,12H,9,11H2,(H,18,19,20)
InChIKeyJMAQRWJDTVOWEA-UHFFFAOYSA-N
XLogP3.08
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 651202) is 1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is c1ccc(Cn2ncc3c(NCc4ccco4)ncnc32)cc1.
What is the InChIKey of 1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JMAQRWJDTVOWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-2-5-13(6-3-1)11-22-17-15(10-21-22)16(19-12-20-17)18-9-14-7-4-8-23-14/h1-8,10,12H,9,11H2,(H,18,19,20).
What are the key properties of 1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 305.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 651202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).