2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C20H22N4S — CID 166119801

IUPAC2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCCn2ccc3ccccc32)c2cc(C)sc2n1
InChIInChI=1S/C20H22N4S/c1-3-18-22-19(16-13-14(2)25-20(16)23-18)21-10-6-11-24-12-9-15-7-4-5-8-17(15)24/h4-5,7-9,12-13H,3,6,10-11H2,1-2H3,(H,21,22,23)
InChIKeyITPPEFYGQJPADQ-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.02
Rot. Bonds6

About 2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166119801) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166119801
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC Name2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCCn2ccc3ccccc32)c2cc(C)sc2n1
InChIInChI=1S/C20H22N4S/c1-3-18-22-19(16-13-14(2)25-20(16)23-18)21-10-6-11-24-12-9-15-7-4-5-8-17(15)24/h4-5,7-9,12-13H,3,6,10-11H2,1-2H3,(H,21,22,23)
InChIKeyITPPEFYGQJPADQ-UHFFFAOYSA-N
XLogP5.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[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-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 166119801) is 2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCCCn2ccc3ccccc32)c2cc(C)sc2n1.
What is the InChIKey of 2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ITPPEFYGQJPADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S/c1-3-18-22-19(16-13-14(2)25-20(16)23-18)21-10-6-11-24-12-9-15-7-4-5-8-17(15)24/h4-5,7-9,12-13H,3,6,10-11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 350.49 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-indol-1-ylpropyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166119801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).