N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine

C11H14F3N5S — CID 62245884

IUPACN-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine
SMILESCCN(Cc1nc(NN)c2ccsc2n1)CC(F)(F)F
InChIInChI=1S/C11H14F3N5S/c1-2-19(6-11(12,13)14)5-8-16-9(18-15)7-3-4-20-10(7)17-8/h3-4H,2,5-6,15H2,1H3,(H,16,17,18)
InChIKeyWQAGUROONWDNJK-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.36
Rot. Bonds5

About N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine

N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine (PubChem CID 62245884) has the molecular formula C11H14F3N5S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine
PubChem CID62245884
Molecular FormulaC11H14F3N5S
Molecular Weight305.33 g/mol
Exact Mass305.09
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine
SMILESCCN(Cc1nc(NN)c2ccsc2n1)CC(F)(F)F
InChIInChI=1S/C11H14F3N5S/c1-2-19(6-11(12,13)14)5-8-16-9(18-15)7-3-4-20-10(7)17-8/h3-4H,2,5-6,15H2,1H3,(H,16,17,18)
InChIKeyWQAGUROONWDNJK-UHFFFAOYSA-N
XLogP2.36
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62184210
2-(diethylaminomethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62178753
[2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 79965201
2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62182196
[2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62250650
[2-(1,1,1-trifluoropropan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 66274655
[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 82791579
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine
CID 62244736
3-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 63285734
[2-[(3,5-diethylpyrazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 82699155
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63692488
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline
CID 62246450

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine (CID 62245884) is N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine is CCN(Cc1nc(NN)c2ccsc2n1)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine?
The InChIKey is WQAGUROONWDNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5S/c1-2-19(6-11(12,13)14)5-8-16-9(18-15)7-3-4-20-10(7)17-8/h3-4H,2,5-6,15H2,1H3,(H,16,17,18).
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine?
N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine has a molecular weight of 305.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 62245884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).