[6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C10H11F3N4S — CID 63614031

IUPAC[6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(CC(F)(F)F)nc2s1
InChIInChI=1S/C10H11F3N4S/c1-2-5-3-6-8(17-14)15-7(4-10(11,12)13)16-9(6)18-5/h3H,2,4,14H2,1H3,(H,15,16,17)
InChIKeyKQHUSGOUEVXTIX-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.64
Rot. Bonds3

About [6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 63614031) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is [6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID63614031
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC Name[6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(CC(F)(F)F)nc2s1
InChIInChI=1S/C10H11F3N4S/c1-2-5-3-6-8(17-14)15-7(4-10(11,12)13)16-9(6)18-5/h3H,2,4,14H2,1H3,(H,15,16,17)
InChIKeyKQHUSGOUEVXTIX-UHFFFAOYSA-N
XLogP2.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614643
[6-ethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63615328
[2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 103150509
[6-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63614519
[2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63615804
[6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 79964166
[6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 106849598
[2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 114887695
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179605
[6-ethyl-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63614035
[2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116730245

Frequently Asked Questions

What is the IUPAC name of [6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 63614031) is [6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is CCc1cc2c(NN)nc(CC(F)(F)F)nc2s1.
What is the InChIKey of [6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is KQHUSGOUEVXTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-2-5-3-6-8(17-14)15-7(4-10(11,12)13)16-9(6)18-5/h3H,2,4,14H2,1H3,(H,15,16,17).
What are the key properties of [6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 276.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63614031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).