2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol

C12H14FN5O — CID 80907262

IUPAC2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol
SMILESNNc1ncc(F)c(NCC(O)c2ccccc2)n1
InChIInChI=1S/C12H14FN5O/c13-9-6-16-12(18-14)17-11(9)15-7-10(19)8-4-2-1-3-5-8/h1-6,10,19H,7,14H2,(H2,15,16,17,18)
InChIKeyDOMMUONLEWGCOG-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.05
Rot. Bonds5

About 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol

2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol (PubChem CID 80907262) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol
PubChem CID80907262
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol
SMILESNNc1ncc(F)c(NCC(O)c2ccccc2)n1
InChIInChI=1S/C12H14FN5O/c13-9-6-16-12(18-14)17-11(9)15-7-10(19)8-4-2-1-3-5-8/h1-6,10,19H,7,14H2,(H2,15,16,17,18)
InChIKeyDOMMUONLEWGCOG-UHFFFAOYSA-N
XLogP1.05
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.05
H-Bond Donors ≤ 54
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-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436412
5-fluoro-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899165
5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
CID 80902838
2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 79075229
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436527
2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol
CID 79915703
2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol
CID 60634143
5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80914648
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104767471
1-(2-fluorophenyl)-2-[[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-5-methylpyrimidin-4-yl]amino]ethanol
CID 133349123
4-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138848

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol (CID 80907262) is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol is NNc1ncc(F)c(NCC(O)c2ccccc2)n1.
What is the InChIKey of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol?
The InChIKey is DOMMUONLEWGCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c13-9-6-16-12(18-14)17-11(9)15-7-10(19)8-4-2-1-3-5-8/h1-6,10,19H,7,14H2,(H2,15,16,17,18).
What are the key properties of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol?
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol has a molecular weight of 263.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol is sourced from PubChem (CID 80907262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).