[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine

C11H11ClN4O — CID 80917345

IUPAC[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1cc(Oc2cc(NN)ncn2)ccc1Cl
InChIInChI=1S/C11H11ClN4O/c1-7-4-8(2-3-9(7)12)17-11-5-10(16-13)14-6-15-11/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyLVAFENIWOBTATK-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.52
Rot. Bonds3

About [6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine

[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80917345) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is [6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80917345
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1cc(Oc2cc(NN)ncn2)ccc1Cl
InChIInChI=1S/C11H11ClN4O/c1-7-4-8(2-3-9(7)12)17-11-5-10(16-13)14-6-15-11/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyLVAFENIWOBTATK-UHFFFAOYSA-N
XLogP2.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.52
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-(4-chloro-3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 82719273
[6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80915515
[6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80917703
6-(4-chloro-3-methylphenoxy)pyrimidine-4-carboxylic acid
CID 116820276
6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80874308
4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine
CID 19150391
[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916958
[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80918117
6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80863903
[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80915358
6-(4-chlorophenoxy)-N-methylpyrimidin-4-amine
CID 80864046
1-[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80640424

Frequently Asked Questions

What is the IUPAC name of [6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine (CID 80917345) is [6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine is Cc1cc(Oc2cc(NN)ncn2)ccc1Cl.
What is the InChIKey of [6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is LVAFENIWOBTATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-4-8(2-3-9(7)12)17-11-5-10(16-13)14-6-15-11/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of [6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine?
[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 250.69 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80917345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).