8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione

C16H17N5O2 — CID 5422824

IUPAC8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione
SMILESNc1ccc2nc3c(=O)n(C4CCCCC4)c(=O)[nH]c3nc2c1
InChIInChI=1S/C16H17N5O2/c17-9-6-7-11-12(8-9)19-14-13(18-11)15(22)21(16(23)20-14)10-4-2-1-3-5-10/h6-8,10H,1-5,17H2,(H,19,20,23)
InChIKeyLNFOKLWJIJKLKY-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.72
Rot. Bonds1

About 8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione

8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione (PubChem CID 5422824) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione
PubChem CID5422824
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione
SMILESNc1ccc2nc3c(=O)n(C4CCCCC4)c(=O)[nH]c3nc2c1
InChIInChI=1S/C16H17N5O2/c17-9-6-7-11-12(8-9)19-14-13(18-11)15(22)21(16(23)20-14)10-4-2-1-3-5-10/h6-8,10H,1-5,17H2,(H,19,20,23)
InChIKeyLNFOKLWJIJKLKY-UHFFFAOYSA-N
XLogP1.72
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione with MolForge

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Related Compounds

Alloxazine
CID 5372720
N-(3-butyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)acetamide
CID 5601456
8-amino-2H,3H,4H,10H-benzo(g)pteridine-2,4-dione
CID 5403692
8-Amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione
CID 5419018
Alloxazine, 1,3-dimethyl-
CID 137780
N-{1,3-Dimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[G]pteridin-8-YL}-2,2,2-trifluoroacetamide
CID 3579305
8-amino-3-benzyl-7-methylbenzo[g]pteridine-2,4(1H,3H)-dione
CID 5400997
8-Amino-3-phenethyl-10H-benzo[g]pteridine-2,4-dione
CID 5422425
8-Amino-3-hexyl-1H-benzo[g]pteridine-2,4-dione
CID 5549699
8-amino-3-butylbenzo[g]pteridine-2,4(1H,3H)-dione
CID 5599490
2,2,2-Trifluoro-N-{1,3,9-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[G]pteridin-8-YL}acetamide
CID 15988965
8-amino-2-thioxo-2,3-dihydrobenzo[g]pteridin-4(1H)-one
CID 5417965

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione?
The IUPAC name of 8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione (CID 5422824) is 8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione?
The canonical SMILES for 8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione is Nc1ccc2nc3c(=O)n(C4CCCCC4)c(=O)[nH]c3nc2c1.
What is the InChIKey of 8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione?
The InChIKey is LNFOKLWJIJKLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c17-9-6-7-11-12(8-9)19-14-13(18-11)15(22)21(16(23)20-14)10-4-2-1-3-5-10/h6-8,10H,1-5,17H2,(H,19,20,23).
What are the key properties of 8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione?
8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione has a molecular weight of 311.34 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-cyclohexyl-1H-benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 5422824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).