7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione

C12H11N5O2 — CID 102221386

IUPAC7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2nc1C
InChIInChI=1S/C12H11N5O2/c1-5-4-7-9(13-6(5)2)17(3)10-8(14-7)11(18)16-12(19)15-10/h4H,1-3H3,(H,16,18,19)
InChIKeyAUZJUVXORMZVHV-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.13
Rot. Bonds

About 7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione

7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione (PubChem CID 102221386) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione.

Molecular Properties

Compound Name7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione
PubChem CID102221386
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2nc1C
InChIInChI=1S/C12H11N5O2/c1-5-4-7-9(13-6(5)2)17(3)10-8(14-7)11(18)16-12(19)15-10/h4H,1-3H3,(H,16,18,19)
InChIKeyAUZJUVXORMZVHV-UHFFFAOYSA-N
XLogP0.13
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7,8,10-trimethylpyrazino[2,3-g]pteridine-2,4-dione
CID 102221387
8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten
CID 59963690
7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione
CID 102212998
8,10-dimethylbenzo[g]pteridine-2,4-dione
CID 10490335
7,10-dimethyl-2,4-dioxobenzo[g]pteridine-8-carbonyl chloride
CID 20674189
7,8,10-trimethyl-4-sulfanylidenebenzo[g]pteridin-2-one
CID 102221390
7-(1-chloropentan-3-yl)-8,10-dimethylbenzo[g]pteridine-2,4-dione
CID 23529088
8-(2-bromoacetyl)-10-methylbenzo[g]pteridine-2,4-dione
CID 14586353
10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 89311042
8-amino-7,10-dimethylbenzo[g]pteridine-2,4-dione;8-[bis(2-chloroethyl)amino]-7,10-dimethylbenzo[g]pteridine-2,4-dione;oxirane
CID 157246364
10-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione;methanediol
CID 161044136
7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
CID 53492640

Frequently Asked Questions

What is the IUPAC name of 7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione?
The IUPAC name of 7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione (CID 102221386) is 7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione.
What is the SMILES notation for 7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione?
The canonical SMILES for 7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2nc1C.
What is the InChIKey of 7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione?
The InChIKey is AUZJUVXORMZVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-5-4-7-9(13-6(5)2)17(3)10-8(14-7)11(18)16-12(19)15-10/h4H,1-3H3,(H,16,18,19).
What are the key properties of 7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione?
7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione is sourced from PubChem (CID 102221386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).