4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C20H30N4O2S — CID 53299143

IUPAC4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOCCCNC(=O)c1sc2ncnc(N(C)C3CCCCC3)c2c1C
InChIInChI=1S/C20H30N4O2S/c1-4-26-12-8-11-21-19(25)17-14(2)16-18(22-13-23-20(16)27-17)24(3)15-9-6-5-7-10-15/h13,15H,4-12H2,1-3H3,(H,21,25)
InChIKeyONXIYNJHEGISJO-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.93
Rot. Bonds8

About 4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53299143) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID53299143
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOCCCNC(=O)c1sc2ncnc(N(C)C3CCCCC3)c2c1C
InChIInChI=1S/C20H30N4O2S/c1-4-26-12-8-11-21-19(25)17-14(2)16-18(22-13-23-20(16)27-17)24(3)15-9-6-5-7-10-15/h13,15H,4-12H2,1-3H3,(H,21,25)
InChIKeyONXIYNJHEGISJO-UHFFFAOYSA-N
XLogP3.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide 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 4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 53299143) is 4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is CCOCCCNC(=O)c1sc2ncnc(N(C)C3CCCCC3)c2c1C.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ONXIYNJHEGISJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-4-26-12-8-11-21-19(25)17-14(2)16-18(22-13-23-20(16)27-17)24(3)15-9-6-5-7-10-15/h13,15H,4-12H2,1-3H3,(H,21,25).
What are the key properties of 4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 390.55 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53299143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).