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

C11H18F3N5 — CID 80901339

IUPAC5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCN(CC(F)(F)F)c1ncnc(NN)c1CC
InChIInChI=1S/C11H18F3N5/c1-3-5-19(6-11(12,13)14)10-8(4-2)9(18-15)16-7-17-10/h7H,3-6,15H2,1-2H3,(H,16,17,18)
InChIKeyIJXLCPQQFJRRII-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.10
Rot. Bonds6

About 5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80901339) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80901339
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC Name5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCN(CC(F)(F)F)c1ncnc(NN)c1CC
InChIInChI=1S/C11H18F3N5/c1-3-5-19(6-11(12,13)14)10-8(4-2)9(18-15)16-7-17-10/h7H,3-6,15H2,1-2H3,(H,16,17,18)
InChIKeyIJXLCPQQFJRRII-UHFFFAOYSA-N
XLogP2.10
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.10
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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Related Compounds

6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406
5-methyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80815609
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 80909904
6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80902323
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80901167
5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine
CID 80906749
1-[ethyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80923421
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80914663
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-propylamino]-N-methylacetamide
CID 80806342
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
N-(cyclopropylmethyl)-5-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899182
[5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
CID 82795276

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80901339) is 5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCN(CC(F)(F)F)c1ncnc(NN)c1CC.
What is the InChIKey of 5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is IJXLCPQQFJRRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c1-3-5-19(6-11(12,13)14)10-8(4-2)9(18-15)16-7-17-10/h7H,3-6,15H2,1-2H3,(H,16,17,18).
What are the key properties of 5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80901339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).