4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline

C15H15N3OS — CID 39187548

IUPAC4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline
SMILESCCc1cc2c(Oc3ccc(N)cc3)nc(C)nc2s1
InChIInChI=1S/C15H15N3OS/c1-3-12-8-13-14(17-9(2)18-15(13)20-12)19-11-6-4-10(16)5-7-11/h4-8H,3,16H2,1-2H3
InChIKeyZAMWCMZKJLCGCE-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.94
Rot. Bonds3

About 4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline

4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline (PubChem CID 39187548) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline
PubChem CID39187548
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline
SMILESCCc1cc2c(Oc3ccc(N)cc3)nc(C)nc2s1
InChIInChI=1S/C15H15N3OS/c1-3-12-8-13-14(17-9(2)18-15(13)20-12)19-11-6-4-10(16)5-7-11/h4-8H,3,16H2,1-2H3
InChIKeyZAMWCMZKJLCGCE-UHFFFAOYSA-N
XLogP3.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331829
2-chloro-6-ethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319860
6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 107171824
6-ethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331942
6-ethyl-4-(3-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331770
4-(5-chloro-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332918
6-ethyl-4-(3-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331559
4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103320225
4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332531
6-ethyl-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331898
[6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336225
3-[2-(4-aminophenoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 94751726

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline?
The IUPAC name of 4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline (CID 39187548) is 4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline?
The canonical SMILES for 4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline is CCc1cc2c(Oc3ccc(N)cc3)nc(C)nc2s1.
What is the InChIKey of 4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline?
The InChIKey is ZAMWCMZKJLCGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-12-8-13-14(17-9(2)18-15(13)20-12)19-11-6-4-10(16)5-7-11/h4-8H,3,16H2,1-2H3.
What are the key properties of 4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline?
4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline has a molecular weight of 285.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 39187548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).