N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

C11H17N5O — CID 136590985

IUPACN-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(N(C)Cc2ccoc2)=NC(C)N1
InChIInChI=1S/C11H17N5O/c1-8-13-10(12-2)15-11(14-8)16(3)6-9-4-5-17-7-9/h4-5,7-8H,6H2,1-3H3,(H2,12,13,14,15)
InChIKeyUGGOVKQMIPLKQE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.59
Rot. Bonds2

About N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 136590985) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID136590985
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(N(C)Cc2ccoc2)=NC(C)N1
InChIInChI=1S/C11H17N5O/c1-8-13-10(12-2)15-11(14-8)16(3)6-9-4-5-17-7-9/h4-5,7-8H,6H2,1-3H3,(H2,12,13,14,15)
InChIKeyUGGOVKQMIPLKQE-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 N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine with MolForge

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Related Compounds

6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136590984
5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-N-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 166366986
N,2-dimethyl-6-methylimino-N-(1H-pyrrol-2-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136590950
4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
CID 82236923
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62865121
2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 61422604
2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine
CID 103756524
[4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol
CID 61422599
3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid
CID 55107661
2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
CID 62341687
5-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylpyridin-2-amine
CID 61421914

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 136590985) is N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is C/N=C1/NC(N(C)Cc2ccoc2)=NC(C)N1.
What is the InChIKey of N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is UGGOVKQMIPLKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8-13-10(12-2)15-11(14-8)16(3)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 N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-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 N-(furan-3-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 136590985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).