[6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine

C12H13FN4O2 — CID 102989666

IUPAC[6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine
SMILESCOc1c(NN)ncnc1Oc1cc(F)ccc1C
InChIInChI=1S/C12H13FN4O2/c1-7-3-4-8(13)5-9(7)19-12-10(18-2)11(17-14)15-6-16-12/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyKCBBSSCBJKICIU-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.01
Rot. Bonds4

About [6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine

[6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine (PubChem CID 102989666) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is [6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine
PubChem CID102989666
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name[6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine
SMILESCOc1c(NN)ncnc1Oc1cc(F)ccc1C
InChIInChI=1S/C12H13FN4O2/c1-7-3-4-8(13)5-9(7)19-12-10(18-2)11(17-14)15-6-16-12/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyKCBBSSCBJKICIU-UHFFFAOYSA-N
XLogP2.01
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.01
H-Bond Donors ≤ 52
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

[5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 102989646
[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924404
[6-(2-chloro-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114264432
[6-(2,2-difluoroethoxy)-5-methoxypyrimidin-4-yl]hydrazine
CID 82009941
[6-(2-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80916535
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine
CID 107171811
(5-methoxy-6-quinolin-7-yloxypyrimidin-4-yl)hydrazine
CID 107315958
1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115379769
5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80905202
[6-(2-chloro-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80917339
[6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 104708877
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-methoxy-N-methylpyrimidin-4-amine
CID 103176379

Frequently Asked Questions

What is the IUPAC name of [6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine (CID 102989666) is [6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine is COc1c(NN)ncnc1Oc1cc(F)ccc1C.
What is the InChIKey of [6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine?
The InChIKey is KCBBSSCBJKICIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-7-3-4-8(13)5-9(7)19-12-10(18-2)11(17-14)15-6-16-12/h3-6H,14H2,1-2H3,(H,15,16,17).
What are the key properties of [6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine?
[6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine has a molecular weight of 264.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-fluoro-2-methylphenoxy)-5-methoxypyrimidin-4-yl]hydrazine is sourced from PubChem (CID 102989666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).