2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine

C22H32N10OS — CID 146588699

IUPAC2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCc1cocc1C/N=C1/NC(N(C)CCc2sccc2C/N=C2\NC(N)=NC(C)N2)=NC(C)N1
InChIInChI=1S/C22H32N10OS/c1-13-11-33-12-17(13)10-25-21-28-15(3)29-22(31-21)32(4)7-5-18-16(6-8-34-18)9-24-20-27-14(2)26-19(23)30-20/h6,8,11-12,14-15H,5,7,9-10H2,1-4H3,(H2,25,28,29,31)(H4,23,24,26,27,30)
InChIKeyIRRRFJMBJXBZFF-UHFFFAOYSA-N
MW484.63 g/mol
LogP1.28
Rot. Bonds7

About 2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine

2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 146588699) has the molecular formula C22H32N10OS and a molecular weight of 484.63 g/mol. Its IUPAC name is 2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID146588699
Molecular FormulaC22H32N10OS
Molecular Weight484.63 g/mol
Exact Mass484.25
IUPAC Name2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCc1cocc1C/N=C1/NC(N(C)CCc2sccc2C/N=C2\NC(N)=NC(C)N2)=NC(C)N1
InChIInChI=1S/C22H32N10OS/c1-13-11-33-12-17(13)10-25-21-28-15(3)29-22(31-21)32(4)7-5-18-16(6-8-34-18)9-24-20-27-14(2)26-19(23)30-20/h6,8,11-12,14-15H,5,7,9-10H2,1-4H3,(H2,25,28,29,31)(H4,23,24,26,27,30)
InChIKeyIRRRFJMBJXBZFF-UHFFFAOYSA-N
XLogP1.28
TPSA139.96 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 51.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of 2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 146588699) is 2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is Cc1cocc1C/N=C1/NC(N(C)CCc2sccc2C/N=C2\NC(N)=NC(C)N2)=NC(C)N1.
What is the InChIKey of 2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is IRRRFJMBJXBZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N10OS/c1-13-11-33-12-17(13)10-25-21-28-15(3)29-22(31-21)32(4)7-5-18-16(6-8-34-18)9-24-20-27-14(2)26-19(23)30-20/h6,8,11-12,14-15H,5,7,9-10H2,1-4H3,(H2,25,28,29,31)(H4,23,24,26,27,30).
What are the key properties of 2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 484.63 g/mol, XLogP of 1.28, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[2-[2-[methyl-[2-methyl-6-[(4-methylfuran-3-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-3-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 146588699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).