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

C17H15N5O2 — CID 127046493

IUPAC5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccccc1Cn1cc2nc(-c3ccco3)nc(N)c2n1
InChIInChI=1S/C17H15N5O2/c1-23-13-6-3-2-5-11(13)9-22-10-12-15(21-22)16(18)20-17(19-12)14-7-4-8-24-14/h2-8,10H,9H2,1H3,(H2,18,19,20)
InChIKeyAQMYJLYXFKJXMD-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.73
Rot. Bonds4

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

5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127046493) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127046493
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccccc1Cn1cc2nc(-c3ccco3)nc(N)c2n1
InChIInChI=1S/C17H15N5O2/c1-23-13-6-3-2-5-11(13)9-22-10-12-15(21-22)16(18)20-17(19-12)14-7-4-8-24-14/h2-8,10H,9H2,1H3,(H2,18,19,20)
InChIKeyAQMYJLYXFKJXMD-UHFFFAOYSA-N
XLogP2.73
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine (CID 127046493) is 5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine is COc1ccccc1Cn1cc2nc(-c3ccco3)nc(N)c2n1.
What is the InChIKey of 5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is AQMYJLYXFKJXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-23-13-6-3-2-5-11(13)9-22-10-12-15(21-22)16(18)20-17(19-12)14-7-4-8-24-14/h2-8,10H,9H2,1H3,(H2,18,19,20).
What are the key properties of 5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine?
5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 321.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127046493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).