8,10-dimethylbenzo[g]pteridine-2,4-dione

C12H10N4O2 — CID 10490335

IUPAC8,10-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1ccc2nc3c(=O)[nH]c(=O)nc-3n(C)c2c1
InChIInChI=1S/C12H10N4O2/c1-6-3-4-7-8(5-6)16(2)10-9(13-7)11(17)15-12(18)14-10/h3-5H,1-2H3,(H,15,17,18)
InChIKeyLPXRFVYSHPRVAO-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.43
Rot. Bonds

About 8,10-dimethylbenzo[g]pteridine-2,4-dione

8,10-dimethylbenzo[g]pteridine-2,4-dione (PubChem CID 10490335) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 8,10-dimethylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name8,10-dimethylbenzo[g]pteridine-2,4-dione
PubChem CID10490335
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name8,10-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1ccc2nc3c(=O)[nH]c(=O)nc-3n(C)c2c1
InChIInChI=1S/C12H10N4O2/c1-6-3-4-7-8(5-6)16(2)10-9(13-7)11(17)15-12(18)14-10/h3-5H,1-2H3,(H,15,17,18)
InChIKeyLPXRFVYSHPRVAO-UHFFFAOYSA-N
XLogP0.43
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,10-dimethylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 8,10-dimethylbenzo[g]pteridine-2,4-dione (CID 10490335) is 8,10-dimethylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 8,10-dimethylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 8,10-dimethylbenzo[g]pteridine-2,4-dione is Cc1ccc2nc3c(=O)[nH]c(=O)nc-3n(C)c2c1.
What is the InChIKey of 8,10-dimethylbenzo[g]pteridine-2,4-dione?
The InChIKey is LPXRFVYSHPRVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-6-3-4-7-8(5-6)16(2)10-9(13-7)11(17)15-12(18)14-10/h3-5H,1-2H3,(H,15,17,18).
What are the key properties of 8,10-dimethylbenzo[g]pteridine-2,4-dione?
8,10-dimethylbenzo[g]pteridine-2,4-dione has a molecular weight of 242.24 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 10490335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).