4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one

C16H11FN6O — CID 22597409

IUPAC4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one
SMILESNc1ncnc2c1nc(-c1cccc(F)c1)n2-c1cc[nH]c(=O)c1
InChIInChI=1S/C16H11FN6O/c17-10-3-1-2-9(6-10)15-22-13-14(18)20-8-21-16(13)23(15)11-4-5-19-12(24)7-11/h1-8H,(H,19,24)(H2,18,20,21)
InChIKeyGXKCNYVQVDRRJR-UHFFFAOYSA-N
MW322.30 g/mol
LogP1.89
Rot. Bonds2

About 4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one

4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one (PubChem CID 22597409) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is 4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one
PubChem CID22597409
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one
SMILESNc1ncnc2c1nc(-c1cccc(F)c1)n2-c1cc[nH]c(=O)c1
InChIInChI=1S/C16H11FN6O/c17-10-3-1-2-9(6-10)15-22-13-14(18)20-8-21-16(13)23(15)11-4-5-19-12(24)7-11/h1-8H,(H,19,24)(H2,18,20,21)
InChIKeyGXKCNYVQVDRRJR-UHFFFAOYSA-N
XLogP1.89
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one (CID 22597409) is 4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one is Nc1ncnc2c1nc(-c1cccc(F)c1)n2-c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one?
The InChIKey is GXKCNYVQVDRRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c17-10-3-1-2-9(6-10)15-22-13-14(18)20-8-21-16(13)23(15)11-4-5-19-12(24)7-11/h1-8H,(H,19,24)(H2,18,20,21).
What are the key properties of 4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one?
4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one has a molecular weight of 322.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-8-(3-fluorophenyl)purin-9-yl]-1H-pyridin-2-one is sourced from PubChem (CID 22597409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).