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

C9H14F3N5O — CID 80909688

IUPAC6-hydrazinyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCc1nc(NN)cc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O/c1-6-15-7(4-8(16-6)17-13)14-2-3-18-5-9(10,11)12/h4H,2-3,5,13H2,1H3,(H2,14,15,16,17)
InChIKeyBUHLHOLIOIRAQY-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.06
Rot. Bonds6

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

6-hydrazinyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 80909688) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 6-hydrazinyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID80909688
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name6-hydrazinyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCc1nc(NN)cc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O/c1-6-15-7(4-8(16-6)17-13)14-2-3-18-5-9(10,11)12/h4H,2-3,5,13H2,1H3,(H2,14,15,16,17)
InChIKeyBUHLHOLIOIRAQY-UHFFFAOYSA-N
XLogP1.06
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.06
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-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 80909688) is 6-hydrazinyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is Cc1nc(NN)cc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is BUHLHOLIOIRAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c1-6-15-7(4-8(16-6)17-13)14-2-3-18-5-9(10,11)12/h4H,2-3,5,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-hydrazinyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 265.24 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80909688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).