N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C18H24IN7O — CID 6087718

IUPACN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESIc1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1
InChIInChI=1S/C18H24IN7O/c19-15-8-7-14(27-15)13-20-24-16-21-17(25-9-3-1-4-10-25)23-18(22-16)26-11-5-2-6-12-26/h7-8,13H,1-6,9-12H2,(H,21,22,23,24)/b20-13-
InChIKeyDQPYJDSVSPGBEA-MOSHPQCFSA-N
MW481.34 g/mol
LogP3.50
Rot. Bonds5

About N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 6087718) has the molecular formula C18H24IN7O and a molecular weight of 481.34 g/mol. Its IUPAC name is N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID6087718
Molecular FormulaC18H24IN7O
Molecular Weight481.34 g/mol
Exact Mass481.11
IUPAC NameN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESIc1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1
InChIInChI=1S/C18H24IN7O/c19-15-8-7-14(27-15)13-20-24-16-21-17(25-9-3-1-4-10-25)23-18(22-16)26-11-5-2-6-12-26/h7-8,13H,1-6,9-12H2,(H,21,22,23,24)/b20-13-
InChIKeyDQPYJDSVSPGBEA-MOSHPQCFSA-N
XLogP3.50
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine 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 N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 6087718) is N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is Ic1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1.
What is the InChIKey of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is DQPYJDSVSPGBEA-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H24IN7O/c19-15-8-7-14(27-15)13-20-24-16-21-17(25-9-3-1-4-10-25)23-18(22-16)26-11-5-2-6-12-26/h7-8,13H,1-6,9-12H2,(H,21,22,23,24)/b20-13-.
What are the key properties of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 481.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 6087718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).