2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

C9H14F3N5S — CID 106434128

IUPAC2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCCSC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5S/c1-2-6-15-7(5-8(16-6)17-13)14-3-4-18-9(10,11)12/h5H,2-4,13H2,1H3,(H2,14,15,16,17)
InChIKeyLYDZMYZUGHSYAZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.99
Rot. Bonds6

About 2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (PubChem CID 106434128) has the molecular formula C9H14F3N5S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
PubChem CID106434128
Molecular FormulaC9H14F3N5S
Molecular Weight281.31 g/mol
Exact Mass281.09
IUPAC Name2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCCSC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5S/c1-2-6-15-7(5-8(16-6)17-13)14-3-4-18-9(10,11)12/h5H,2-4,13H2,1H3,(H2,14,15,16,17)
InChIKeyLYDZMYZUGHSYAZ-UHFFFAOYSA-N
XLogP1.99
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (CID 106434128) is 2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is CCc1nc(NN)cc(NCCSC(F)(F)F)n1.
What is the InChIKey of 2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The InChIKey is LYDZMYZUGHSYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5S/c1-2-6-15-7(5-8(16-6)17-13)14-3-4-18-9(10,11)12/h5H,2-4,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine has a molecular weight of 281.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106434128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).