6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine

C13H18FN5S — CID 20682193

IUPAC6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(CCc1cccs1)Nc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C13H18FN5S/c1-8(5-6-10-4-3-7-20-10)16-13-18-11(9(2)14)17-12(15)19-13/h3-4,7-9H,5-6H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyXREWMTQPBBZPCB-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.98
Rot. Bonds6

About 6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine

6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 20682193) has the molecular formula C13H18FN5S and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID20682193
Molecular FormulaC13H18FN5S
Molecular Weight295.39 g/mol
Exact Mass295.13
IUPAC Name6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(CCc1cccs1)Nc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C13H18FN5S/c1-8(5-6-10-4-3-7-20-10)16-13-18-11(9(2)14)17-12(15)19-13/h3-4,7-9H,5-6H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyXREWMTQPBBZPCB-UHFFFAOYSA-N
XLogP2.98
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 59874342
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine
CID 22090865
2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
CID 67072973
ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 91072276
6-(2-fluoropropan-2-yl)-2-N-(4-pyridin-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 20682190
4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63291908
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
N,4-dimethyl-6-thiophen-2-ylhexan-2-amine
CID 64720964
4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80813456
N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2-thiophen-2-ylethyl)methanetriamine
CID 21149282
2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
CID 129364008

Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 20682193) is 6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine is CC(CCc1cccs1)Nc1nc(N)nc(C(C)F)n1.
What is the InChIKey of 6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XREWMTQPBBZPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5S/c1-8(5-6-10-4-3-7-20-10)16-13-18-11(9(2)14)17-12(15)19-13/h3-4,7-9H,5-6H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 295.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)-2-N-(4-thiophen-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20682193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).