4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine

C14H11N5O2 — CID 22015533

IUPAC4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccco2)c2cnn(Cc3ccco3)c2n1
InChIInChI=1S/C14H11N5O2/c15-14-17-12(11-4-2-6-21-11)10-7-16-19(13(10)18-14)8-9-3-1-5-20-9/h1-7H,8H2,(H2,15,17,18)
InChIKeyPDHBEXZQMIJQMS-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.31
Rot. Bonds3

About 4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine

4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 22015533) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID22015533
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccco2)c2cnn(Cc3ccco3)c2n1
InChIInChI=1S/C14H11N5O2/c15-14-17-12(11-4-2-6-21-11)10-7-16-19(13(10)18-14)8-9-3-1-5-20-9/h1-7H,8H2,(H2,15,17,18)
InChIKeyPDHBEXZQMIJQMS-UHFFFAOYSA-N
XLogP2.31
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 22015533) is 4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine is Nc1nc(-c2ccco2)c2cnn(Cc3ccco3)c2n1.
What is the InChIKey of 4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is PDHBEXZQMIJQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c15-14-17-12(11-4-2-6-21-11)10-7-16-19(13(10)18-14)8-9-3-1-5-20-9/h1-7H,8H2,(H2,15,17,18).
What are the key properties of 4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 281.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 22015533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).