N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine

C13H21N5O — CID 136591047

IUPACN,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCc1cocc1CC/N=C1/NC(N(C)C)=NC(C)N1
InChIInChI=1S/C13H21N5O/c1-9-7-19-8-11(9)5-6-14-12-15-10(2)16-13(17-12)18(3)4/h7-8,10H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyVMLPGADHFBDLOA-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.94
Rot. Bonds3

About N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine

N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 136591047) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID136591047
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCc1cocc1CC/N=C1/NC(N(C)C)=NC(C)N1
InChIInChI=1S/C13H21N5O/c1-9-7-19-8-11(9)5-6-14-12-15-10(2)16-13(17-12)18(3)4/h7-8,10H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyVMLPGADHFBDLOA-UHFFFAOYSA-N
XLogP0.94
TPSA65.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 136591047) is N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is Cc1cocc1CC/N=C1/NC(N(C)C)=NC(C)N1.
What is the InChIKey of N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is VMLPGADHFBDLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-7-19-8-11(9)5-6-14-12-15-10(2)16-13(17-12)18(3)4/h7-8,10H,5-6H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 136591047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).