[2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine

C13H15FN4O — CID 107170574

IUPAC[2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(COc2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H15FN4O/c1-8-3-4-10(6-11(8)14)19-7-13-16-9(2)5-12(17-13)18-15/h3-6H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyOODBUQUODXRKSR-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.10
Rot. Bonds4

About [2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine

[2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 107170574) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is [2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
PubChem CID107170574
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name[2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(COc2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H15FN4O/c1-8-3-4-10(6-11(8)14)19-7-13-16-9(2)5-12(17-13)18-15/h3-6H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyOODBUQUODXRKSR-UHFFFAOYSA-N
XLogP2.10
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 107170521
[2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 83234575
[2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 83141076
[2-[(3-methoxyphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656141
[6-methyl-2-[(4-propylphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656739
[2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80663620
[2-[[3-(methoxymethyl)phenoxy]methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656236
[6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656225
[2-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656343
2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80664925
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methyl-1H-1,2,4-triazole
CID 142157841
2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 82716054

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine (CID 107170574) is [2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(COc2ccc(C)c(F)c2)n1.
What is the InChIKey of [2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is OODBUQUODXRKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-3-4-10(6-11(8)14)19-7-13-16-9(2)5-12(17-13)18-15/h3-6H,7,15H2,1-2H3,(H,16,17,18).
What are the key properties of [2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine?
[2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 262.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107170574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).