2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine

C16H13N5O — CID 127047851

IUPAC2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(-c2ccco2)nc2cn(Cc3ccccc3)nc12
InChIInChI=1S/C16H13N5O/c17-15-14-12(18-16(19-15)13-7-4-8-22-13)10-21(20-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,18,19)
InChIKeyWHRXEWMAKBKKKJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.72
Rot. Bonds3

About 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine

2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127047851) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127047851
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(-c2ccco2)nc2cn(Cc3ccccc3)nc12
InChIInChI=1S/C16H13N5O/c17-15-14-12(18-16(19-15)13-7-4-8-22-13)10-21(20-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,18,19)
InChIKeyWHRXEWMAKBKKKJ-UHFFFAOYSA-N
XLogP2.72
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (CID 127047851) is 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is Nc1nc(-c2ccco2)nc2cn(Cc3ccccc3)nc12.
What is the InChIKey of 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is WHRXEWMAKBKKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c17-15-14-12(18-16(19-15)13-7-4-8-22-13)10-21(20-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,18,19).
What are the key properties of 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 291.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127047851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).