8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione

C16H16FN5O2 — CID 155556727

IUPAC8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCN(c2ccc(F)cc2)C3)n(C)c1=O
InChIInChI=1S/C16H16FN5O2/c1-19-14-13(15(23)20(2)16(19)24)22-8-7-21(9-12(22)18-14)11-5-3-10(17)4-6-11/h3-6H,7-9H2,1-2H3
InChIKeyCTUMSDCOWIXQDI-UHFFFAOYSA-N
MW329.34 g/mol
LogP0.59
Rot. Bonds1

About 8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione

8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione (PubChem CID 155556727) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione.

Molecular Properties

Compound Name8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
PubChem CID155556727
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCN(c2ccc(F)cc2)C3)n(C)c1=O
InChIInChI=1S/C16H16FN5O2/c1-19-14-13(15(23)20(2)16(19)24)22-8-7-21(9-12(22)18-14)11-5-3-10(17)4-6-11/h3-6H,7-9H2,1-2H3
InChIKeyCTUMSDCOWIXQDI-UHFFFAOYSA-N
XLogP0.59
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The IUPAC name of 8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione (CID 155556727) is 8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione.
What is the SMILES notation for 8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The canonical SMILES for 8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione is Cn1c(=O)c2c(nc3n2CCN(c2ccc(F)cc2)C3)n(C)c1=O.
What is the InChIKey of 8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The InChIKey is CTUMSDCOWIXQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-19-14-13(15(23)20(2)16(19)24)22-8-7-21(9-12(22)18-14)11-5-3-10(17)4-6-11/h3-6H,7-9H2,1-2H3.
What are the key properties of 8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione has a molecular weight of 329.34 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione is sourced from PubChem (CID 155556727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).