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

C8H12F3N5O — CID 80908998

IUPAC6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESNNc1cc(NCCOCC(F)(F)F)ncn1
InChIInChI=1S/C8H12F3N5O/c9-8(10,11)4-17-2-1-13-6-3-7(16-12)15-5-14-6/h3,5H,1-2,4,12H2,(H2,13,14,15,16)
InChIKeySMZYAARJTWDGPI-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.75
Rot. Bonds6

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

6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 80908998) has the molecular formula C8H12F3N5O and a molecular weight of 251.21 g/mol. Its IUPAC name is 6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID80908998
Molecular FormulaC8H12F3N5O
Molecular Weight251.21 g/mol
Exact Mass251.10
IUPAC Name6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESNNc1cc(NCCOCC(F)(F)F)ncn1
InChIInChI=1S/C8H12F3N5O/c9-8(10,11)4-17-2-1-13-6-3-7(16-12)15-5-14-6/h3,5H,1-2,4,12H2,(H2,13,14,15,16)
InChIKeySMZYAARJTWDGPI-UHFFFAOYSA-N
XLogP0.75
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.75
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 6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 80908998) is 6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is NNc1cc(NCCOCC(F)(F)F)ncn1.
What is the InChIKey of 6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is SMZYAARJTWDGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O/c9-8(10,11)4-17-2-1-13-6-3-7(16-12)15-5-14-6/h3,5H,1-2,4,12H2,(H2,13,14,15,16).
What are the key properties of 6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 251.21 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80908998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).