[6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine

C11H13N5O — CID 80913517

IUPAC[6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OCCc2ccccn2)ncn1
InChIInChI=1S/C11H13N5O/c12-16-10-7-11(15-8-14-10)17-6-4-9-3-1-2-5-13-9/h1-3,5,7-8H,4,6,12H2,(H,14,15,16)
InChIKeyXJSOHOOWPVPVQX-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.78
Rot. Bonds5

About [6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine

[6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80913517) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is [6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine
PubChem CID80913517
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name[6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OCCc2ccccn2)ncn1
InChIInChI=1S/C11H13N5O/c12-16-10-7-11(15-8-14-10)17-6-4-9-3-1-2-5-13-9/h1-3,5,7-8H,4,6,12H2,(H,14,15,16)
InChIKeyXJSOHOOWPVPVQX-UHFFFAOYSA-N
XLogP0.78
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine (CID 80913517) is [6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine is NNc1cc(OCCc2ccccn2)ncn1.
What is the InChIKey of [6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is XJSOHOOWPVPVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-16-10-7-11(15-8-14-10)17-6-4-9-3-1-2-5-13-9/h1-3,5,7-8H,4,6,12H2,(H,14,15,16).
What are the key properties of [6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine?
[6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 231.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80913517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).