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

C9H14F3N5O — CID 107495437

IUPAC2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1cc(N(CCO)CC(F)(F)F)nc(NN)n1
InChIInChI=1S/C9H14F3N5O/c1-6-4-7(15-8(14-6)16-13)17(2-3-18)5-9(10,11)12/h4,18H,2-3,5,13H2,1H3,(H,14,15,16)
InChIKeyPMMXJFRLVNTRCI-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.43
Rot. Bonds5

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

2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495437) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495437
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1cc(N(CCO)CC(F)(F)F)nc(NN)n1
InChIInChI=1S/C9H14F3N5O/c1-6-4-7(15-8(14-6)16-13)17(2-3-18)5-9(10,11)12/h4,18H,2-3,5,13H2,1H3,(H,14,15,16)
InChIKeyPMMXJFRLVNTRCI-UHFFFAOYSA-N
XLogP0.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.43
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-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495464
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495365
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495264
2-[ethyl-[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 80791333
2-[2-methoxyethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 113468505
N-(2,2-dimethylpropyl)-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80903777
2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790816
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 107479877
N-(2-ethoxyethyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80909371
2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 107495085
N-(cyclopropylmethyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80912871
2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484677

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495437) is 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is Cc1cc(N(CCO)CC(F)(F)F)nc(NN)n1.
What is the InChIKey of 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is PMMXJFRLVNTRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c1-6-4-7(15-8(14-6)16-13)17(2-3-18)5-9(10,11)12/h4,18H,2-3,5,13H2,1H3,(H,14,15,16).
What are the key properties of 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 265.24 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).