2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine

C10H15N5S — CID 136591026

IUPAC2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1N=C(N)N/C(=N/CCc2ccsc2)N1
InChIInChI=1S/C10H15N5S/c1-7-13-9(11)15-10(14-7)12-4-2-8-3-5-16-6-8/h3,5-7H,2,4H2,1H3,(H4,11,12,13,14,15)
InChIKeyQCWMMRWEPFOLCH-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.50
Rot. Bonds3

About 2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine

2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 136591026) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID136591026
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1N=C(N)N/C(=N/CCc2ccsc2)N1
InChIInChI=1S/C10H15N5S/c1-7-13-9(11)15-10(14-7)12-4-2-8-3-5-16-6-8/h3,5-7H,2,4H2,1H3,(H4,11,12,13,14,15)
InChIKeyQCWMMRWEPFOLCH-UHFFFAOYSA-N
XLogP0.50
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine with MolForge

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Related Compounds

2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136591046
(2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136590856
6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 137231343
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
N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136591047
N'-(2-thiophen-3-ylethyl)benzenecarboximidamide
CID 63177343
1-(2-thiophen-3-ylethyl)cyclopropan-1-amine
CID 66025535
1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine
CID 79074834
1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115386725
azane;3-propylthiophene
CID 174446539
3-(2-cyclopropylethyl)thiophene
CID 159324839
3-(3-azidopropyl)thiophene
CID 118420983

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of 2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 136591026) is 2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine is CC1N=C(N)N/C(=N/CCc2ccsc2)N1.
What is the InChIKey of 2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is QCWMMRWEPFOLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-7-13-9(11)15-10(14-7)12-4-2-8-3-5-16-6-8/h3,5-7H,2,4H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 237.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-thiophen-3-ylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 136591026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).