[(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine

C13H16N4O — CID 105203562

IUPAC[(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine
SMILESCCOc1cccc(C(NN)c2ncccn2)c1
InChIInChI=1S/C13H16N4O/c1-2-18-11-6-3-5-10(9-11)12(17-14)13-15-7-4-8-16-13/h3-9,12,17H,2,14H2,1H3
InChIKeyQGSNWBHRNYAKIA-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.43
Rot. Bonds5

About [(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine

[(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine (PubChem CID 105203562) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is [(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine
PubChem CID105203562
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name[(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine
SMILESCCOc1cccc(C(NN)c2ncccn2)c1
InChIInChI=1S/C13H16N4O/c1-2-18-11-6-3-5-10(9-11)12(17-14)13-15-7-4-8-16-13/h3-9,12,17H,2,14H2,1H3
InChIKeyQGSNWBHRNYAKIA-UHFFFAOYSA-N
XLogP1.43
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.43
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

[(3-ethoxyphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105192042
[(2,4-dimethylphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 105191931
[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 107986143
[(3-ethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105327992
[(3-chloro-2-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 107103783
[(2,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 105328002
[(3-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]hydrazine
CID 105328071
[1,3-dihydro-2-benzofuran-5-yl-(3-ethoxyphenyl)methyl]hydrazine
CID 105328022
[1-benzofuran-2-yl-(3-ethoxyphenyl)methyl]hydrazine
CID 105192094
[(2-bromo-5-methoxyphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 105328079
[(3-ethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105192015
[(3-ethoxyphenyl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
CID 105252379

Frequently Asked Questions

What is the IUPAC name of [(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine?
The IUPAC name of [(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine (CID 105203562) is [(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine.
What is the SMILES notation for [(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine?
The canonical SMILES for [(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine is CCOc1cccc(C(NN)c2ncccn2)c1.
What is the InChIKey of [(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine?
The InChIKey is QGSNWBHRNYAKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-18-11-6-3-5-10(9-11)12(17-14)13-15-7-4-8-16-13/h3-9,12,17H,2,14H2,1H3.
What are the key properties of [(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine?
[(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine has a molecular weight of 244.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethoxyphenyl)-pyrimidin-2-ylmethyl]hydrazine is sourced from PubChem (CID 105203562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).