8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione

C21H27N5O6 — CID 91581820

IUPAC8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1NC1CCCC1
InChIInChI=1S/C21H27N5O6/c1-10-6-13-14(7-12(10)22-11-4-2-3-5-11)26(8-15(28)18(30)16(29)9-27)19-17(23-13)20(31)25-21(32)24-19/h6-7,11,15-16,18,22,27-30H,2-5,8-9H2,1H3,(H,25,31,32)
InChIKeyQVUXOQLTEYSJJT-UHFFFAOYSA-N
MW445.48 g/mol
LogP-0.68
Rot. Bonds7

About 8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione

8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione (PubChem CID 91581820) has the molecular formula C21H27N5O6 and a molecular weight of 445.48 g/mol. Its IUPAC name is 8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
PubChem CID91581820
Molecular FormulaC21H27N5O6
Molecular Weight445.48 g/mol
Exact Mass445.20
IUPAC Name8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1NC1CCCC1
InChIInChI=1S/C21H27N5O6/c1-10-6-13-14(7-12(10)22-11-4-2-3-5-11)26(8-15(28)18(30)16(29)9-27)19-17(23-13)20(31)25-21(32)24-19/h6-7,11,15-16,18,22,27-30H,2-5,8-9H2,1H3,(H,25,31,32)
InChIKeyQVUXOQLTEYSJJT-UHFFFAOYSA-N
XLogP-0.68
TPSA173.59 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.48
LogP ≤ 5-0.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)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 8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione?
The IUPAC name of 8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione (CID 91581820) is 8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione?
The canonical SMILES for 8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1NC1CCCC1.
What is the InChIKey of 8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione?
The InChIKey is QVUXOQLTEYSJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O6/c1-10-6-13-14(7-12(10)22-11-4-2-3-5-11)26(8-15(28)18(30)16(29)9-27)19-17(23-13)20(31)25-21(32)24-19/h6-7,11,15-16,18,22,27-30H,2-5,8-9H2,1H3,(H,25,31,32).
What are the key properties of 8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione?
8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione has a molecular weight of 445.48 g/mol, XLogP of -0.68, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 91581820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).