N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H18F3N5 — CID 106775326

IUPACN-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(C)N(CC)c1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C11H18F3N5/c1-4-7(3)19(5-2)9-6-8(18-15)16-10(17-9)11(12,13)14/h6-7H,4-5,15H2,1-3H3,(H,16,17,18)
InChIKeyGPJIFJJLDIBZHP-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.41
Rot. Bonds5

About N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775326) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775326
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC NameN-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(C)N(CC)c1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C11H18F3N5/c1-4-7(3)19(5-2)9-6-8(18-15)16-10(17-9)11(12,13)14/h6-7H,4-5,15H2,1-3H3,(H,16,17,18)
InChIKeyGPJIFJJLDIBZHP-UHFFFAOYSA-N
XLogP2.41
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.41
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-hydrazinyl-N-methyl-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775973
6-hydrazinyl-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775982
N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775723
N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107403230
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773395
N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106775714
3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 106775569
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775417
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 80963917
6-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775663
[6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776574
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770867

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775326) is N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is CCC(C)N(CC)c1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GPJIFJJLDIBZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c1-4-7(3)19(5-2)9-6-8(18-15)16-10(17-9)11(12,13)14/h6-7H,4-5,15H2,1-3H3,(H,16,17,18).
What are the key properties of N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).