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

C9H7N5O — CID 22015500

IUPAC4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccco2)c2cn[nH]c2n1
InChIInChI=1S/C9H7N5O/c10-9-12-7(6-2-1-3-15-6)5-4-11-14-8(5)13-9/h1-4H,(H3,10,11,12,13,14)
InChIKeyYRICNFHNUJTOMF-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.20
Rot. Bonds1

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

4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 22015500) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID22015500
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccco2)c2cn[nH]c2n1
InChIInChI=1S/C9H7N5O/c10-9-12-7(6-2-1-3-15-6)5-4-11-14-8(5)13-9/h1-4H,(H3,10,11,12,13,14)
InChIKeyYRICNFHNUJTOMF-UHFFFAOYSA-N
XLogP1.20
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 22015500) is 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is Nc1nc(-c2ccco2)c2cn[nH]c2n1.
What is the InChIKey of 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is YRICNFHNUJTOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c10-9-12-7(6-2-1-3-15-6)5-4-11-14-8(5)13-9/h1-4H,(H3,10,11,12,13,14).
What are the key properties of 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 201.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 22015500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).