[4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine

C11H11ClN4O — CID 80922000

IUPAC[4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine
SMILESCc1ccc(Cl)cc1Oc1ccnc(NN)n1
InChIInChI=1S/C11H11ClN4O/c1-7-2-3-8(12)6-9(7)17-10-4-5-14-11(15-10)16-13/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyOTWPRWPKXRDXRE-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.52
Rot. Bonds3

About [4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine

[4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80922000) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is [4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80922000
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name[4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine
SMILESCc1ccc(Cl)cc1Oc1ccnc(NN)n1
InChIInChI=1S/C11H11ClN4O/c1-7-2-3-8(12)6-9(7)17-10-4-5-14-11(15-10)16-13/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyOTWPRWPKXRDXRE-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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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine (CID 80922000) is [4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine is Cc1ccc(Cl)cc1Oc1ccnc(NN)n1.
What is the InChIKey of [4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is OTWPRWPKXRDXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-2-3-8(12)6-9(7)17-10-4-5-14-11(15-10)16-13/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of [4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine?
[4-(5-chloro-2-methylphenoxy)pyrimidin-2-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 [4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80922000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).