ethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate

C8H9F3N4O2 — CID 2781895

IUPACethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(F)(F)F)nc1NN
InChIInChI=1S/C8H9F3N4O2/c1-2-17-6(16)4-3-13-7(8(9,10)11)14-5(4)15-12/h3H,2,12H2,1H3,(H,13,14,15)
InChIKeyYINANUGXXFVGSM-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.96
Rot. Bonds3

About ethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate

ethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 2781895) has the molecular formula C8H9F3N4O2 and a molecular weight of 250.18 g/mol. Its IUPAC name is ethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate
PubChem CID2781895
Molecular FormulaC8H9F3N4O2
Molecular Weight250.18 g/mol
Exact Mass250.07
IUPAC Nameethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(F)(F)F)nc1NN
InChIInChI=1S/C8H9F3N4O2/c1-2-17-6(16)4-3-13-7(8(9,10)11)14-5(4)15-12/h3H,2,12H2,1H3,(H,13,14,15)
InChIKeyYINANUGXXFVGSM-UHFFFAOYSA-N
XLogP0.96
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.96
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

Ethyl 4-amino-2-methylpyrimidine-5-carboxylate
CID 231662
Ethyl 2,4-diaminopyrimidine-5-carboxylate
CID 222669
Ethyl 2-aminopyrimidine-5-carboxylate
CID 295889
Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate
CID 248642
AP-1/NF-kappaB activation inhibitor 1
CID 44289488
ethyl 2-tert-butyl-4-(3-methyl-2,5-dioxo-2H-pyrrol-1(5H)-ylamino)pyrimidine-5-carboxylate
CID 44290086
ethyl 4-(2,5-dioxo-2H-pyrrol-1(5H)-ylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 44289817
ethyl 4-(3,4-dimethyl-2,5-dioxo-2H-pyrrol-1(5H)-ylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 44289831
ethyl 2-ethyl-4-(3-methyl-2,5-dioxo-2H-pyrrol-1(5H)-ylamino)pyrimidine-5-carboxylate
CID 44289917
Ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 1252117
Ethyl 4-amino-2-chloropyrimidine-5-carboxylate
CID 20284979
Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 21936133

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate (CID 2781895) is ethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(F)(F)F)nc1NN.
What is the InChIKey of ethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The InChIKey is YINANUGXXFVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2/c1-2-17-6(16)4-3-13-7(8(9,10)11)14-5(4)15-12/h3H,2,12H2,1H3,(H,13,14,15).
What are the key properties of ethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate?
ethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 250.18 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydrazinyl-2-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 2781895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).