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

C11H17N5S — CID 136590974

IUPACN,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1N=C(N(C)C)N/C(=N\Cc2cccs2)N1
InChIInChI=1S/C11H17N5S/c1-8-13-10(15-11(14-8)16(2)3)12-7-9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyBGHTZCQWAWBAHG-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.06
Rot. Bonds2

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

N,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 136590974) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is N,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID136590974
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC NameN,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1N=C(N(C)C)N/C(=N\Cc2cccs2)N1
InChIInChI=1S/C11H17N5S/c1-8-13-10(15-11(14-8)16(2)3)12-7-9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyBGHTZCQWAWBAHG-UHFFFAOYSA-N
XLogP1.06
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-6-methylimino-N-(thiophen-2-ylmethyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,4-dimethyl-6-N-(thiophen-2-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N,6-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazinane-2,4-diimine;6-N-(furan-2-ylmethyl)-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;N-(furan-2-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-(furan-2-ylmethyl)-4-N,6-dimethyl-1,3,5-triazinane-2,4-diimine;6-(furan-2-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-(furan-2-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N-(furan-2-ylmethyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(furan-2-ylmethyl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;4-N,6-N,6-N,2,5-pentamethyl-4-N-(1H-pyrrol-2-ylmethyl)-2H-1,3,5-triazine-4,6-diamine
CID 161020148
N,N,2-trimethyl-6-[2-(4-methylfuran-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136591047
4,5-dimethyl-6-(thiophen-2-ylmethylimino)-4,5-dihydro-1H-pyridazin-3-amine
CID 137117671
6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 137018153
N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136590894
6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 62863221
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
2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
CID 55145752
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486
2-N,2-N,6-N,4-tetramethyl-6-N-[2-(2-methylthiophen-3-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 130258012
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388890

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of N,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 136590974) is N,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for N,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine is CC1N=C(N(C)C)N/C(=N\Cc2cccs2)N1.
What is the InChIKey of N,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is BGHTZCQWAWBAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-8-13-10(15-11(14-8)16(2)3)12-7-9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of N,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
N,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 251.36 g/mol, XLogP of 1.06, 2 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-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 136590974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).