2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine

C12H15N3S — CID 62203538

IUPAC2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1cc(-c2nc(C)c(C)c(N)n2)c(C)s1
InChIInChI=1S/C12H15N3S/c1-6-5-10(9(4)16-6)12-14-8(3)7(2)11(13)15-12/h5H,1-4H3,(H2,13,14,15)
InChIKeyZZDMYIJMXASISO-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.02
Rot. Bonds1

About 2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine

2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine (PubChem CID 62203538) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine
PubChem CID62203538
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1cc(-c2nc(C)c(C)c(N)n2)c(C)s1
InChIInChI=1S/C12H15N3S/c1-6-5-10(9(4)16-6)12-14-8(3)7(2)11(13)15-12/h5H,1-4H3,(H2,13,14,15)
InChIKeyZZDMYIJMXASISO-UHFFFAOYSA-N
XLogP3.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine 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 2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine (CID 62203538) is 2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine is Cc1cc(-c2nc(C)c(C)c(N)n2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine?
The InChIKey is ZZDMYIJMXASISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-6-5-10(9(4)16-6)12-14-8(3)7(2)11(13)15-12/h5H,1-4H3,(H2,13,14,15).
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine?
2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine has a molecular weight of 233.34 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62203538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).