2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C8H13F3N6O — CID 107495464

IUPAC2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNNc1cc(N(CCO)CC(F)(F)F)nc(N)n1
InChIInChI=1S/C8H13F3N6O/c9-8(10,11)4-17(1-2-18)6-3-5(16-13)14-7(12)15-6/h3,18H,1-2,4,13H2,(H3,12,14,15,16)
InChIKeyPJAFVBTYKGHUJA-UHFFFAOYSA-N
MW266.23 g/mol
LogP-0.29
Rot. Bonds5

About 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495464) has the molecular formula C8H13F3N6O and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495464
Molecular FormulaC8H13F3N6O
Molecular Weight266.23 g/mol
Exact Mass266.11
IUPAC Name2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNNc1cc(N(CCO)CC(F)(F)F)nc(N)n1
InChIInChI=1S/C8H13F3N6O/c9-8(10,11)4-17(1-2-18)6-3-5(16-13)14-7(12)15-6/h3,18H,1-2,4,13H2,(H3,12,14,15,16)
InChIKeyPJAFVBTYKGHUJA-UHFFFAOYSA-N
XLogP-0.29
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495264
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495437
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495365
2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80964814
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904604
4-N-ethyl-6-hydrazinyl-4-N-propylpyrimidine-2,4-diamine
CID 80944737
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80965192
6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871833
2-[(5-amino-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478357
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol
CID 80808361
6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80902323
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495464) is 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is NNc1cc(N(CCO)CC(F)(F)F)nc(N)n1.
What is the InChIKey of 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is PJAFVBTYKGHUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N6O/c9-8(10,11)4-17(1-2-18)6-3-5(16-13)14-7(12)15-6/h3,18H,1-2,4,13H2,(H3,12,14,15,16).
What are the key properties of 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 266.23 g/mol, XLogP of -0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).