1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol

C11H18F3N5O — CID 114567378

IUPAC1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C11H18F3N5O/c1-4-19(6-10(2,3)20)8-5-7(11(12,13)14)16-9(17-8)18-15/h5,20H,4,6,15H2,1-3H3,(H,16,17,18)
InChIKeyJSBOHRSWHUNDIR-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.38
Rot. Bonds5

About 1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol

1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol (PubChem CID 114567378) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
PubChem CID114567378
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC Name1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C11H18F3N5O/c1-4-19(6-10(2,3)20)8-5-7(11(12,13)14)16-9(17-8)18-15/h5,20H,4,6,15H2,1-3H3,(H,16,17,18)
InChIKeyJSBOHRSWHUNDIR-UHFFFAOYSA-N
XLogP1.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.38
H-Bond Donors ≤ 53
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

2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564255
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567304
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 114567175
1-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80923771
1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80969607
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 114565428
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 102998866
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80969713
N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567034
1-[ethyl-(6-hydrazinyl-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 80922908
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403023
2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564384

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol (CID 114567378) is 1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1cc(C(F)(F)F)nc(NN)n1.
What is the InChIKey of 1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The InChIKey is JSBOHRSWHUNDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O/c1-4-19(6-10(2,3)20)8-5-7(11(12,13)14)16-9(17-8)18-15/h5,20H,4,6,15H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol has a molecular weight of 293.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 114567378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).