6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

C23H34N10OS — CID 146588700

IUPAC6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(N(C)CCc2ccco2)NC(N(C)Cc2csc(CC/N=C3/NC(N)=NC(C)N3)c2)=N1
InChIInChI=1S/C23H34N10OS/c1-15-26-20(24)30-21(27-15)25-9-7-19-12-17(14-35-19)13-33(4)23-29-16(2)28-22(31-23)32(3)10-8-18-6-5-11-34-18/h5-6,11-12,14-16H,7-10,13H2,1-4H3,(H,28,29,31)(H4,24,25,26,27,30)
InChIKeyZKBNQMIEQQXGDO-UHFFFAOYSA-N
MW498.66 g/mol
LogP1.36
Rot. Bonds8

About 6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 146588700) has the molecular formula C23H34N10OS and a molecular weight of 498.66 g/mol. Its IUPAC name is 6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID146588700
Molecular FormulaC23H34N10OS
Molecular Weight498.66 g/mol
Exact Mass498.26
IUPAC Name6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1N=C(N(C)CCc2ccco2)NC(N(C)Cc2csc(CC/N=C3/NC(N)=NC(C)N3)c2)=N1
InChIInChI=1S/C23H34N10OS/c1-15-26-20(24)30-21(27-15)25-9-7-19-12-17(14-35-19)13-33(4)23-29-16(2)28-22(31-23)32(3)10-8-18-6-5-11-34-18/h5-6,11-12,14-16H,7-10,13H2,1-4H3,(H,28,29,31)(H4,24,25,26,27,30)
InChIKeyZKBNQMIEQQXGDO-UHFFFAOYSA-N
XLogP1.36
TPSA131.17 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.66
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine 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 6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 146588700) is 6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is CC1N=C(N(C)CCc2ccco2)NC(N(C)Cc2csc(CC/N=C3/NC(N)=NC(C)N3)c2)=N1.
What is the InChIKey of 6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is ZKBNQMIEQQXGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N10OS/c1-15-26-20(24)30-21(27-15)25-9-7-19-12-17(14-35-19)13-33(4)23-29-16(2)28-22(31-23)32(3)10-8-18-6-5-11-34-18/h5-6,11-12,14-16H,7-10,13H2,1-4H3,(H,28,29,31)(H4,24,25,26,27,30).
What are the key properties of 6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 498.66 g/mol, XLogP of 1.36, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 146588700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).