[4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C12H18F3N5O — CID 114567020

IUPAC[4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCCC1COC(C)CN1c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C12H18F3N5O/c1-3-8-6-21-7(2)5-20(8)10-4-9(12(13,14)15)17-11(18-10)19-16/h4,7-8H,3,5-6,16H2,1-2H3,(H,17,18,19)
InChIKeyHGPBYLNPBJQJNJ-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.78
Rot. Bonds3

About [4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567020) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is [4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567020
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name[4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCCC1COC(C)CN1c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C12H18F3N5O/c1-3-8-6-21-7(2)5-20(8)10-4-9(12(13,14)15)17-11(18-10)19-16/h4,7-8H,3,5-6,16H2,1-2H3,(H,17,18,19)
InChIKeyHGPBYLNPBJQJNJ-UHFFFAOYSA-N
XLogP1.78
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.78
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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Related Compounds

4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564122
[4-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567450
[4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567233
4-(3-ethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564205
[5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazine
CID 80896237
1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 114567195
6-(5-ethyl-2-methylmorpholin-4-yl)pyridin-2-amine
CID 80653171
4-(5-ethyl-2-methylmorpholin-4-yl)pyrimidin-2-amine
CID 80795705
4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine
CID 113380680
4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 63963227
4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine
CID 62254121
[6-(5-ethyl-2-methylmorpholin-4-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80896083

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567020) is [4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is CCC1COC(C)CN1c1cc(C(F)(F)F)nc(NN)n1.
What is the InChIKey of [4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is HGPBYLNPBJQJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-3-8-6-21-7(2)5-20(8)10-4-9(12(13,14)15)17-11(18-10)19-16/h4,7-8H,3,5-6,16H2,1-2H3,(H,17,18,19).
What are the key properties of [4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 305.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).