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

C10H16F3N5O — CID 80936922

IUPAC2-ethyl-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O/c1-2-7-16-8(5-9(17-7)18-14)15-3-4-19-6-10(11,12)13/h5H,2-4,6,14H2,1H3,(H2,15,16,17,18)
InChIKeyMUXULVMRMRGFDF-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.32
Rot. Bonds7

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

2-ethyl-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 80936922) has the molecular formula C10H16F3N5O and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-ethyl-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID80936922
Molecular FormulaC10H16F3N5O
Molecular Weight279.27 g/mol
Exact Mass279.13
IUPAC Name2-ethyl-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O/c1-2-7-16-8(5-9(17-7)18-14)15-3-4-19-6-10(11,12)13/h5H,2-4,6,14H2,1H3,(H2,15,16,17,18)
InChIKeyMUXULVMRMRGFDF-UHFFFAOYSA-N
XLogP1.32
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.32
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-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 80936922) is 2-ethyl-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCc1nc(NN)cc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 2-ethyl-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is MUXULVMRMRGFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O/c1-2-7-16-8(5-9(17-7)18-14)15-3-4-19-6-10(11,12)13/h5H,2-4,6,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
2-ethyl-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 279.27 g/mol, XLogP of 1.32, 7 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-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80936922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).