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

C16H17N5O2 — CID 155516939

IUPAC1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCN(c2ccccc2)C3)n(C)c1=O
InChIInChI=1S/C16H17N5O2/c1-18-14-13(15(22)19(2)16(18)23)21-9-8-20(10-12(21)17-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeySBAAODLLBDANMV-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.45
Rot. Bonds1

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

1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione (PubChem CID 155516939) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
PubChem CID155516939
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCN(c2ccccc2)C3)n(C)c1=O
InChIInChI=1S/C16H17N5O2/c1-18-14-13(15(22)19(2)16(18)23)21-9-8-20(10-12(21)17-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeySBAAODLLBDANMV-UHFFFAOYSA-N
XLogP0.45
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-8-phenyl-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 1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The IUPAC name of 1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione (CID 155516939) is 1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione is Cn1c(=O)c2c(nc3n2CCN(c2ccccc2)C3)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The InChIKey is SBAAODLLBDANMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-18-14-13(15(22)19(2)16(18)23)21-9-8-20(10-12(21)17-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione has a molecular weight of 311.35 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-phenyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione is sourced from PubChem (CID 155516939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).