2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C13H22F3N5 — CID 80964814

IUPAC2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCN(CC(F)(F)F)c1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22F3N5/c1-5-6-21(8-13(14,15)16)10-7-9(20-17)18-11(19-10)12(2,3)4/h7H,5-6,8,17H2,1-4H3,(H,18,19,20)
InChIKeyIUMUUHJSIMQZOZ-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.84
Rot. Bonds5

About 2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80964814) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80964814
Molecular FormulaC13H22F3N5
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC Name2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCN(CC(F)(F)F)c1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22F3N5/c1-5-6-21(8-13(14,15)16)10-7-9(20-17)18-11(19-10)12(2,3)4/h7H,5-6,8,17H2,1-4H3,(H,18,19,20)
InChIKeyIUMUUHJSIMQZOZ-UHFFFAOYSA-N
XLogP2.84
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.84
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-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80902323
2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80968252
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495464
6-N-ethyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770291
4-N,4-N,6-N-tripropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770292
6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770293
4-N-ethyl-6-hydrazinyl-4-N-propylpyrimidine-2,4-diamine
CID 80944737
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495264
6-hydrazinyl-N,N,2-tripropylpyrimidin-4-amine
CID 80947753
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
CID 80969768
6-hydrazinyl-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775982

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80964814) is 2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCN(CC(F)(F)F)c1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is IUMUUHJSIMQZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-5-6-21(8-13(14,15)16)10-7-9(20-17)18-11(19-10)12(2,3)4/h7H,5-6,8,17H2,1-4H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 305.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80964814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).