4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline

C13H11N3OS — CID 43520274

IUPAC4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline
SMILESCc1ccc(N)cc1Oc1ncnc2ccsc12
InChIInChI=1S/C13H11N3OS/c1-8-2-3-9(14)6-11(8)17-13-12-10(4-5-18-12)15-7-16-13/h2-7H,14H2,1H3
InChIKeyNOXGXHOVGMSTTJ-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.37
Rot. Bonds2

About 4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline

4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline (PubChem CID 43520274) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline.

Molecular Properties

Compound Name4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline
PubChem CID43520274
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline
SMILESCc1ccc(N)cc1Oc1ncnc2ccsc12
InChIInChI=1S/C13H11N3OS/c1-8-2-3-9(14)6-11(8)17-13-12-10(4-5-18-12)15-7-16-13/h2-7H,14H2,1H3
InChIKeyNOXGXHOVGMSTTJ-UHFFFAOYSA-N
XLogP3.37
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline?
The IUPAC name of 4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline (CID 43520274) is 4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline.
What is the SMILES notation for 4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline?
The canonical SMILES for 4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline is Cc1ccc(N)cc1Oc1ncnc2ccsc12.
What is the InChIKey of 4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline?
The InChIKey is NOXGXHOVGMSTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-2-3-9(14)6-11(8)17-13-12-10(4-5-18-12)15-7-16-13/h2-7H,14H2,1H3.
What are the key properties of 4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline?
4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline has a molecular weight of 257.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline is sourced from PubChem (CID 43520274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).