[4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine

C11H11IN4O — CID 80916371

IUPAC[4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2cccc(I)c2)nc(NN)n1
InChIInChI=1S/C11H11IN4O/c1-7-5-10(15-11(14-7)16-13)17-9-4-2-3-8(12)6-9/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyORVIEYWWHKGCCC-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.47
Rot. Bonds3

About [4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine

[4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine (PubChem CID 80916371) has the molecular formula C11H11IN4O and a molecular weight of 342.14 g/mol. Its IUPAC name is [4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine
PubChem CID80916371
Molecular FormulaC11H11IN4O
Molecular Weight342.14 g/mol
Exact Mass342.00
IUPAC Name[4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2cccc(I)c2)nc(NN)n1
InChIInChI=1S/C11H11IN4O/c1-7-5-10(15-11(14-7)16-13)17-9-4-2-3-8(12)6-9/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyORVIEYWWHKGCCC-UHFFFAOYSA-N
XLogP2.47
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(3-ethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80913357
[4-(3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80915689
2-(3-iodophenoxy)-6-methylpyridine
CID 61400141
[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 107727424
[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920854
[4-methyl-6-(2-methylquinolin-8-yl)oxypyrimidin-2-yl]hydrazine
CID 80913418
[6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336225
N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80873590
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023
6-(2-hydrazinyl-6-methylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80909861
[4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567735

Frequently Asked Questions

What is the IUPAC name of [4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine (CID 80916371) is [4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine is Cc1cc(Oc2cccc(I)c2)nc(NN)n1.
What is the InChIKey of [4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The InChIKey is ORVIEYWWHKGCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O/c1-7-5-10(15-11(14-7)16-13)17-9-4-2-3-8(12)6-9/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of [4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine?
[4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine has a molecular weight of 342.14 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80916371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).