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

C16H13N5O2 — CID 127046494

IUPAC2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol
SMILESNc1nc(-c2ccco2)nc2cn(Cc3ccccc3O)nc12
InChIInChI=1S/C16H13N5O2/c17-15-14-11(18-16(19-15)13-6-3-7-23-13)9-21(20-14)8-10-4-1-2-5-12(10)22/h1-7,9,22H,8H2,(H2,17,18,19)
InChIKeyLFQIONJTAIBNFA-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.42
Rot. Bonds3

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

2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol (PubChem CID 127046494) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol
PubChem CID127046494
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol
SMILESNc1nc(-c2ccco2)nc2cn(Cc3ccccc3O)nc12
InChIInChI=1S/C16H13N5O2/c17-15-14-11(18-16(19-15)13-6-3-7-23-13)9-21(20-14)8-10-4-1-2-5-12(10)22/h1-7,9,22H,8H2,(H2,17,18,19)
InChIKeyLFQIONJTAIBNFA-UHFFFAOYSA-N
XLogP2.42
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol?
The IUPAC name of 2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol (CID 127046494) is 2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol.
What is the SMILES notation for 2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol?
The canonical SMILES for 2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol is Nc1nc(-c2ccco2)nc2cn(Cc3ccccc3O)nc12.
What is the InChIKey of 2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol?
The InChIKey is LFQIONJTAIBNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c17-15-14-11(18-16(19-15)13-6-3-7-23-13)9-21(20-14)8-10-4-1-2-5-12(10)22/h1-7,9,22H,8H2,(H2,17,18,19).
What are the key properties of 2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol?
2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol has a molecular weight of 307.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-amino-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol is sourced from PubChem (CID 127046494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).