[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine

C15H17ClN4O — CID 81000980

IUPAC[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1ccc(Cl)cc1Oc1nc(C2CC2)nc(NN)c1C
InChIInChI=1S/C15H17ClN4O/c1-8-3-6-11(16)7-12(8)21-15-9(2)13(20-17)18-14(19-15)10-4-5-10/h3,6-7,10H,4-5,17H2,1-2H3,(H,18,19,20)
InChIKeyWYJSGRBWIBXMSN-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.70
Rot. Bonds4

About [6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine

[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 81000980) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is [6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID81000980
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1ccc(Cl)cc1Oc1nc(C2CC2)nc(NN)c1C
InChIInChI=1S/C15H17ClN4O/c1-8-3-6-11(16)7-12(8)21-15-9(2)13(20-17)18-14(19-15)10-4-5-10/h3,6-7,10H,4-5,17H2,1-2H3,(H,18,19,20)
InChIKeyWYJSGRBWIBXMSN-UHFFFAOYSA-N
XLogP3.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.70
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 [6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine (CID 81000980) is [6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine is Cc1ccc(Cl)cc1Oc1nc(C2CC2)nc(NN)c1C.
What is the InChIKey of [6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is WYJSGRBWIBXMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-8-3-6-11(16)7-12(8)21-15-9(2)13(20-17)18-14(19-15)10-4-5-10/h3,6-7,10H,4-5,17H2,1-2H3,(H,18,19,20).
What are the key properties of [6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 304.78 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81000980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).