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

C17H15N5O — CID 127046495

IUPAC2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1ccc(-c2nc(N)c3nn(Cc4ccccc4)cc3n2)o1
InChIInChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20)
InChIKeyWXADNPIZOQQAEO-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.03
Rot. Bonds3

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

2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127046495) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127046495
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1ccc(-c2nc(N)c3nn(Cc4ccccc4)cc3n2)o1
InChIInChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20)
InChIKeyWXADNPIZOQQAEO-UHFFFAOYSA-N
XLogP3.03
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (CID 127046495) is 2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4)cc3n2)o1.
What is the InChIKey of 2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is WXADNPIZOQQAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20).
What are the key properties of 2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 305.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127046495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).