6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine

C11H17N5O — CID 136590984

IUPAC6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1N=C(N(C)C)N/C(=N\Cc2ccoc2)N1
InChIInChI=1S/C11H17N5O/c1-8-13-10(15-11(14-8)16(2)3)12-6-9-4-5-17-7-9/h4-5,7-8H,6H2,1-3H3,(H2,12,13,14,15)
InChIKeyQDAIWEPEJJOODZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.59
Rot. Bonds2

About 6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine

6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 136590984) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID136590984
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1N=C(N(C)C)N/C(=N\Cc2ccoc2)N1
InChIInChI=1S/C11H17N5O/c1-8-13-10(15-11(14-8)16(2)3)12-6-9-4-5-17-7-9/h4-5,7-8H,6H2,1-3H3,(H2,12,13,14,15)
InChIKeyQDAIWEPEJJOODZ-UHFFFAOYSA-N
XLogP0.59
TPSA65.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine with MolForge

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Related Compounds

N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136590985
N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136591047
6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 158326867
N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 58281251
6-[2-(4-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 158859565
N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136590894
N-(furan-3-ylmethyl)methanimine
CID 154530628
4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 136960723
4-[furan-3-ylmethyl(methyl)amino]pyrrolidin-3-ol
CID 63702901
6-N,4-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine;N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N,6-dimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-[(5-methyl-1H-pyrrol-2-yl)methyl]-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,4-dimethyl-6-N-[(5-methyl-1H-pyrrol-2-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N,6-dimethyl-2-N-[(5-methyl-1H-pyrrol-2-yl)methyl]-1,3,5-triazinane-2,4-diimine;2-methyl-6-[(5-methylfuran-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N,6-N,6-N,2,5-pentamethyl-4-N-[(5-methyl-1H-pyrrol-2-yl)methyl]-2H-1,3,5-triazine-4,6-diamine;4-N,6-N,6-N,2,5-pentamethyl-4-N-(thiophen-3-ylmethyl)-2H-1,3,5-triazine-4,6-diamine;2-N,2-N,6-N,4-tetramethyl-6-N-[(5-methylfuran-2-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N,2-N,6-N,4-tetramethyl-6-N-[(5-methyl-1H-pyrrol-2-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N,2-N,6-N,4-tetramethyl-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;N,N,2-trimethyl-6-[(5-methylfuran-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,N,2-trimethyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 161456703
5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine
CID 123865194
2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 61422604

Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of 6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 136590984) is 6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine is CC1N=C(N(C)C)N/C(=N\Cc2ccoc2)N1.
What is the InChIKey of 6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is QDAIWEPEJJOODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8-13-10(15-11(14-8)16(2)3)12-6-9-4-5-17-7-9/h4-5,7-8H,6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 235.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 136590984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).