[6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C11H16F3N5O — CID 106775371

IUPAC[6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCCC1CN(c2cc(NN)nc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C11H16F3N5O/c1-2-7-6-19(3-4-20-7)9-5-8(18-15)16-10(17-9)11(12,13)14/h5,7H,2-4,6,15H2,1H3,(H,16,17,18)
InChIKeyNMIBWEGTPKTHIE-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.40
Rot. Bonds3

About [6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106775371) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is [6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106775371
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name[6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCCC1CN(c2cc(NN)nc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C11H16F3N5O/c1-2-7-6-19(3-4-20-7)9-5-8(18-15)16-10(17-9)11(12,13)14/h5,7H,2-4,6,15H2,1H3,(H,16,17,18)
InChIKeyNMIBWEGTPKTHIE-UHFFFAOYSA-N
XLogP1.40
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106775371) is [6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CCC1CN(c2cc(NN)nc(C(F)(F)F)n2)CCO1.
What is the InChIKey of [6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is NMIBWEGTPKTHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-2-7-6-19(3-4-20-7)9-5-8(18-15)16-10(17-9)11(12,13)14/h5,7H,2-4,6,15H2,1H3,(H,16,17,18).
What are the key properties of [6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 291.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106775371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).