7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione

C17H20N4O5 — CID 166944134

IUPAC7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)CC(O)CO)c2cc1C
InChIInChI=1S/C17H20N4O5/c1-8-3-12-13(4-9(8)2)21(6-10(23)5-11(24)7-22)15-14(18-12)16(25)20-17(26)19-15/h3-4,10-11,22-24H,5-7H2,1-2H3,(H,20,25,26)/t10-,11?/m1/s1
InChIKeyUKNVFJDIQRUEME-NFJWQWPMSA-N
MW360.37 g/mol
LogP-0.69
Rot. Bonds5

About 7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione

7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione (PubChem CID 166944134) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione
PubChem CID166944134
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)CC(O)CO)c2cc1C
InChIInChI=1S/C17H20N4O5/c1-8-3-12-13(4-9(8)2)21(6-10(23)5-11(24)7-22)15-14(18-12)16(25)20-17(26)19-15/h3-4,10-11,22-24H,5-7H2,1-2H3,(H,20,25,26)/t10-,11?/m1/s1
InChIKeyUKNVFJDIQRUEME-NFJWQWPMSA-N
XLogP-0.69
TPSA141.33 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-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 7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione?
The IUPAC name of 7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione (CID 166944134) is 7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione?
The canonical SMILES for 7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)CC(O)CO)c2cc1C.
What is the InChIKey of 7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione?
The InChIKey is UKNVFJDIQRUEME-NFJWQWPMSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-8-3-12-13(4-9(8)2)21(6-10(23)5-11(24)7-22)15-14(18-12)16(25)20-17(26)19-15/h3-4,10-11,22-24H,5-7H2,1-2H3,(H,20,25,26)/t10-,11?/m1/s1.
What are the key properties of 7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione?
7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione has a molecular weight of 360.37 g/mol, XLogP of -0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 166944134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).