2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine

C16H16N6S — CID 126836105

IUPAC2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCc2cn3cccnc3n2)c2ccsc2n1
InChIInChI=1S/C16H16N6S/c1-2-13-20-14(12-5-9-23-15(12)21-13)17-7-4-11-10-22-8-3-6-18-16(22)19-11/h3,5-6,8-10H,2,4,7H2,1H3,(H,17,20,21)
InChIKeyDXAFRBXDTVAWPJ-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.95
Rot. Bonds5

About 2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 126836105) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID126836105
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCc2cn3cccnc3n2)c2ccsc2n1
InChIInChI=1S/C16H16N6S/c1-2-13-20-14(12-5-9-23-15(12)21-13)17-7-4-11-10-22-8-3-6-18-16(22)19-11/h3,5-6,8-10H,2,4,7H2,1H3,(H,17,20,21)
InChIKeyDXAFRBXDTVAWPJ-UHFFFAOYSA-N
XLogP2.95
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-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-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 126836105) is 2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCCc2cn3cccnc3n2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DXAFRBXDTVAWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-2-13-20-14(12-5-9-23-15(12)21-13)17-7-4-11-10-22-8-3-6-18-16(22)19-11/h3,5-6,8-10H,2,4,7H2,1H3,(H,17,20,21).
What are the key properties of 2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 324.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 126836105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).