8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione

C17H19N5O2 — CID 5419018

IUPAC8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)n(C4CCCCC4)c(=O)[nH]c3nc2cc1N
InChIInChI=1S/C17H19N5O2/c1-9-7-12-13(8-11(9)18)20-15-14(19-12)16(23)22(17(24)21-15)10-5-3-2-4-6-10/h7-8,10H,2-6,18H2,1H3,(H,20,21,24)
InChIKeyCUFSFNRFDWZTOJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.03
Rot. Bonds1

About 8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione

8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione (PubChem CID 5419018) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione
PubChem CID5419018
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)n(C4CCCCC4)c(=O)[nH]c3nc2cc1N
InChIInChI=1S/C17H19N5O2/c1-9-7-12-13(8-11(9)18)20-15-14(19-12)16(23)22(17(24)21-15)10-5-3-2-4-6-10/h7-8,10H,2-6,18H2,1H3,(H,20,21,24)
InChIKeyCUFSFNRFDWZTOJ-UHFFFAOYSA-N
XLogP2.03
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.03
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'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione?
The IUPAC name of 8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione (CID 5419018) is 8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione?
The canonical SMILES for 8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)n(C4CCCCC4)c(=O)[nH]c3nc2cc1N.
What is the InChIKey of 8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione?
The InChIKey is CUFSFNRFDWZTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-9-7-12-13(8-11(9)18)20-15-14(19-12)16(23)22(17(24)21-15)10-5-3-2-4-6-10/h7-8,10H,2-6,18H2,1H3,(H,20,21,24).
What are the key properties of 8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione?
8-amino-3-cyclohexyl-7-methyl-1H-benzo[g]pteridine-2,4-dione has a molecular weight of 325.37 g/mol, XLogP of 2.03, 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-7-methyl-1H-benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 5419018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).