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

C16H14N6O — CID 22015499

IUPAC1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1cccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c1
InChIInChI=1S/C16H14N6O/c17-11-4-1-3-10(7-11)9-22-15-12(8-19-22)14(20-16(18)21-15)13-5-2-6-23-13/h1-8H,9,17H2,(H2,18,20,21)
InChIKeyONVWTFFLKUKVPB-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.30
Rot. Bonds3

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

1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 22015499) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID22015499
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1cccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c1
InChIInChI=1S/C16H14N6O/c17-11-4-1-3-10(7-11)9-22-15-12(8-19-22)14(20-16(18)21-15)13-5-2-6-23-13/h1-8H,9,17H2,(H2,18,20,21)
InChIKeyONVWTFFLKUKVPB-UHFFFAOYSA-N
XLogP2.30
TPSA108.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 22015499) is 1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine is Nc1cccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)c1.
What is the InChIKey of 1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is ONVWTFFLKUKVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c17-11-4-1-3-10(7-11)9-22-15-12(8-19-22)14(20-16(18)21-15)13-5-2-6-23-13/h1-8H,9,17H2,(H2,18,20,21).
What are the key properties of 1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 306.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 22015499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).