2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C9H14F3N5 — CID 80937540

IUPAC2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5/c1-2-6-15-7(5-8(16-6)17-13)14-4-3-9(10,11)12/h5H,2-4,13H2,1H3,(H2,14,15,16,17)
InChIKeyQDBUHCOCPWMLFL-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.69
Rot. Bonds5

About 2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 80937540) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID80937540
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5/c1-2-6-15-7(5-8(16-6)17-13)14-4-3-9(10,11)12/h5H,2-4,13H2,1H3,(H2,14,15,16,17)
InChIKeyQDBUHCOCPWMLFL-UHFFFAOYSA-N
XLogP1.69
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.69
H-Bond Donors ≤ 53
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

2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 115523284
2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935134
6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935204
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83117256
3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80937785
1-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 80937784
N-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 80937853
2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82947715
2-ethyl-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-amine
CID 80938072
2-[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 80937148
2-(methoxymethyl)-6-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 113401488
2-ethyl-6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137244

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 80937540) is 2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CCc1nc(NN)cc(NCCC(F)(F)F)n1.
What is the InChIKey of 2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is QDBUHCOCPWMLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c1-2-6-15-7(5-8(16-6)17-13)14-4-3-9(10,11)12/h5H,2-4,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 80937540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).