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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
CID 107657529
3-chloro-4-thieno[3,2-d]pyrimidin-4-yloxyaniline
CID 43364090
4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine
CID 24561427
4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine
CID 83132793
5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid
CID 61396250
4-[4-(6,10-dimethylpyren-1-yl)-3-methylphenoxy]thieno[3,2-d]pyrimidine
CID 151544113
(2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
CID 114323860
3-(6-ethyl-5-fluoropyrimidin-4-yl)oxy-4-methylaniline
CID 114045661
4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline
CID 83065097
3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine
CID 64574048
4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine
CID 138038554
2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
CID 63181014

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).