6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine

C8H13F3N6O — CID 80910269

IUPAC6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine
SMILESNNc1cc(NCCOCC(F)(F)F)nc(N)n1
InChIInChI=1S/C8H13F3N6O/c9-8(10,11)4-18-2-1-14-5-3-6(17-13)16-7(12)15-5/h3H,1-2,4,13H2,(H4,12,14,15,16,17)
InChIKeyASOVNVXLSGRZLL-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.34
Rot. Bonds6

About 6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine

6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine (PubChem CID 80910269) has the molecular formula C8H13F3N6O and a molecular weight of 266.23 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine
PubChem CID80910269
Molecular FormulaC8H13F3N6O
Molecular Weight266.23 g/mol
Exact Mass266.11
IUPAC Name6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine
SMILESNNc1cc(NCCOCC(F)(F)F)nc(N)n1
InChIInChI=1S/C8H13F3N6O/c9-8(10,11)4-18-2-1-14-5-3-6(17-13)16-7(12)15-5/h3H,1-2,4,13H2,(H4,12,14,15,16,17)
InChIKeyASOVNVXLSGRZLL-UHFFFAOYSA-N
XLogP0.34
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine (CID 80910269) is 6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine is NNc1cc(NCCOCC(F)(F)F)nc(N)n1.
What is the InChIKey of 6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine?
The InChIKey is ASOVNVXLSGRZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N6O/c9-8(10,11)4-18-2-1-14-5-3-6(17-13)16-7(12)15-5/h3H,1-2,4,13H2,(H4,12,14,15,16,17).
What are the key properties of 6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine has a molecular weight of 266.23 g/mol, XLogP of 0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80910269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).