[4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine

C13H12N4OS — CID 103336141

IUPAC[4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCc1ccc(Oc2nc(NN)nc3sccc23)cc1
InChIInChI=1S/C13H12N4OS/c1-8-2-4-9(5-3-8)18-11-10-6-7-19-12(10)16-13(15-11)17-14/h2-7H,14H2,1H3,(H,15,16,17)
InChIKeyPLLJQKBGAYMEKJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.08
Rot. Bonds3

About [4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine

[4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 103336141) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is [4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID103336141
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name[4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCc1ccc(Oc2nc(NN)nc3sccc23)cc1
InChIInChI=1S/C13H12N4OS/c1-8-2-4-9(5-3-8)18-11-10-6-7-19-12(10)16-13(15-11)17-14/h2-7H,14H2,1H3,(H,15,16,17)
InChIKeyPLLJQKBGAYMEKJ-UHFFFAOYSA-N
XLogP3.08
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.08
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 [4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 103336141) is [4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine is Cc1ccc(Oc2nc(NN)nc3sccc23)cc1.
What is the InChIKey of [4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is PLLJQKBGAYMEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-2-4-9(5-3-8)18-11-10-6-7-19-12(10)16-13(15-11)17-14/h2-7H,14H2,1H3,(H,15,16,17).
What are the key properties of [4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
[4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 272.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103336141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).