5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine

C13H12N4OS — CID 11680623

IUPAC5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCc3cccs3)cccc2n1
InChIInChI=1S/C13H12N4OS/c14-12-11-9(16-13(15)17-12)4-1-5-10(11)18-7-8-3-2-6-19-8/h1-6H,7H2,(H4,14,15,16,17)
InChIKeyUSNOQQMHYQTRGK-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.43
Rot. Bonds3

About 5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine

5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine (PubChem CID 11680623) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine
PubChem CID11680623
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCc3cccs3)cccc2n1
InChIInChI=1S/C13H12N4OS/c14-12-11-9(16-13(15)17-12)4-1-5-10(11)18-7-8-3-2-6-19-8/h1-6H,7H2,(H4,14,15,16,17)
InChIKeyUSNOQQMHYQTRGK-UHFFFAOYSA-N
XLogP2.43
TPSA87.05 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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine?
The IUPAC name of 5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine (CID 11680623) is 5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine.
What is the SMILES notation for 5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine?
The canonical SMILES for 5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine is Nc1nc(N)c2c(OCc3cccs3)cccc2n1.
What is the InChIKey of 5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine?
The InChIKey is USNOQQMHYQTRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c14-12-11-9(16-13(15)17-12)4-1-5-10(11)18-7-8-3-2-6-19-8/h1-6H,7H2,(H4,14,15,16,17).
What are the key properties of 5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine?
5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine has a molecular weight of 272.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethoxy)quinazoline-2,4-diamine is sourced from PubChem (CID 11680623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).