N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C9H14F3N5 — CID 80902136

IUPACN-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1cc(NN)nc(C)n1
InChIInChI=1S/C9H14F3N5/c1-3-17(5-9(10,11)12)8-4-7(16-13)14-6(2)15-8/h4H,3,5,13H2,1-2H3,(H,14,15,16)
InChIKeyPLIQEKYCQJNODS-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.46
Rot. Bonds4

About N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80902136) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80902136
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC NameN-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1cc(NN)nc(C)n1
InChIInChI=1S/C9H14F3N5/c1-3-17(5-9(10,11)12)8-4-7(16-13)14-6(2)15-8/h4H,3,5,13H2,1-2H3,(H,14,15,16)
InChIKeyPLIQEKYCQJNODS-UHFFFAOYSA-N
XLogP1.46
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80902136) is N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCN(CC(F)(F)F)c1cc(NN)nc(C)n1.
What is the InChIKey of N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is PLIQEKYCQJNODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c1-3-17(5-9(10,11)12)8-4-7(16-13)14-6(2)15-8/h4H,3,5,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80902136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).