[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine

C14H18N4O — CID 80947768

IUPAC[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(Oc2cccc(C)c2)n1
InChIInChI=1S/C14H18N4O/c1-3-5-12-16-13(18-15)9-14(17-12)19-11-7-4-6-10(2)8-11/h4,6-9H,3,5,15H2,1-2H3,(H,16,17,18)
InChIKeyLTTQKIJJHCJFHX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.82
Rot. Bonds5

About [6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine

[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine (PubChem CID 80947768) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
PubChem CID80947768
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(Oc2cccc(C)c2)n1
InChIInChI=1S/C14H18N4O/c1-3-5-12-16-13(18-15)9-14(17-12)19-11-7-4-6-10(2)8-11/h4,6-9H,3,5,15H2,1-2H3,(H,16,17,18)
InChIKeyLTTQKIJJHCJFHX-UHFFFAOYSA-N
XLogP2.82
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.82
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

(6-phenoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80946591
[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947208
[6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 107662936
[6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947113
[2-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80940048
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80969262
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
(6-ethoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80947198
6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80950205
[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol
CID 80942920
[6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721263

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine (CID 80947768) is [6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine is CCCc1nc(NN)cc(Oc2cccc(C)c2)n1.
What is the InChIKey of [6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine?
The InChIKey is LTTQKIJJHCJFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-5-12-16-13(18-15)9-14(17-12)19-11-7-4-6-10(2)8-11/h4,6-9H,3,5,15H2,1-2H3,(H,16,17,18).
What are the key properties of [6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine?
[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine has a molecular weight of 258.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80947768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).