10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione

C17H24N6O2 — CID 70808483

IUPAC10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione
SMILESCc1cc2c(cc1C)N(CCNCCCN)C1=NC(=O)NC(=O)C1N2
InChIInChI=1S/C17H24N6O2/c1-10-8-12-13(9-11(10)2)23(7-6-19-5-3-4-18)15-14(20-12)16(24)22-17(25)21-15/h8-9,14,19-20H,3-7,18H2,1-2H3,(H,22,24,25)
InChIKeyGWPNARSEBULLMP-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.49
Rot. Bonds6

About 10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione

10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione (PubChem CID 70808483) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione
PubChem CID70808483
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione
SMILESCc1cc2c(cc1C)N(CCNCCCN)C1=NC(=O)NC(=O)C1N2
InChIInChI=1S/C17H24N6O2/c1-10-8-12-13(9-11(10)2)23(7-6-19-5-3-4-18)15-14(20-12)16(24)22-17(25)21-15/h8-9,14,19-20H,3-7,18H2,1-2H3,(H,22,24,25)
InChIKeyGWPNARSEBULLMP-UHFFFAOYSA-N
XLogP0.49
TPSA111.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione (CID 70808483) is 10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione is Cc1cc2c(cc1C)N(CCNCCCN)C1=NC(=O)NC(=O)C1N2.
What is the InChIKey of 10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione?
The InChIKey is GWPNARSEBULLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-10-8-12-13(9-11(10)2)23(7-6-19-5-3-4-18)15-14(20-12)16(24)22-17(25)21-15/h8-9,14,19-20H,3-7,18H2,1-2H3,(H,22,24,25).
What are the key properties of 10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione?
10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione has a molecular weight of 344.42 g/mol, XLogP of 0.49, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(3-aminopropylamino)ethyl]-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 70808483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).