6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine

C12H13F4N5S — CID 59874342

IUPAC6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(C(F)C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C12H13F4N5S/c1-2-6(7-4-3-5-22-7)18-11-20-9(19-10(17)21-11)8(13)12(14,15)16/h3-6,8H,2H2,1H3,(H3,17,18,19,20,21)
InChIKeyMURQGNGUDINVCA-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.65
Rot. Bonds5

About 6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine

6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 59874342) has the molecular formula C12H13F4N5S and a molecular weight of 335.33 g/mol. Its IUPAC name is 6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID59874342
Molecular FormulaC12H13F4N5S
Molecular Weight335.33 g/mol
Exact Mass335.08
IUPAC Name6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(C(F)C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C12H13F4N5S/c1-2-6(7-4-3-5-22-7)18-11-20-9(19-10(17)21-11)8(13)12(14,15)16/h3-6,8H,2H2,1H3,(H3,17,18,19,20,21)
InChIKeyMURQGNGUDINVCA-UHFFFAOYSA-N
XLogP3.65
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 10859400
2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80807202
2-N,2-N-dimethyl-6-propan-2-yl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 133418780
6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 20682193
2-N-(2-methoxy-1-thiophen-2-ylethyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 59874344
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094
4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 80901589
2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80961783
2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline
CID 63462752
4-N-(1-thiophen-2-ylpropyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine;dihydrochloride
CID 154885577
6-ethoxy-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780976
4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 112637254

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine (CID 59874342) is 6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine is CCC(Nc1nc(N)nc(C(F)C(F)(F)F)n1)c1cccs1.
What is the InChIKey of 6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MURQGNGUDINVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N5S/c1-2-6(7-4-3-5-22-7)18-11-20-9(19-10(17)21-11)8(13)12(14,15)16/h3-6,8H,2H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine?
6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 335.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 59874342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).