2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol

C14H15N3OS2 — CID 133418146

IUPAC2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
SMILESCCc1nc(NCC(O)c2ccsc2)c2ccsc2n1
InChIInChI=1S/C14H15N3OS2/c1-2-12-16-13(10-4-6-20-14(10)17-12)15-7-11(18)9-3-5-19-8-9/h3-6,8,11,18H,2,7H2,1H3,(H,15,16,17)
InChIKeyUXCHLWCLFRUSSD-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.46
Rot. Bonds5

About 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol

2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol (PubChem CID 133418146) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
PubChem CID133418146
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
SMILESCCc1nc(NCC(O)c2ccsc2)c2ccsc2n1
InChIInChI=1S/C14H15N3OS2/c1-2-12-16-13(10-4-6-20-14(10)17-12)15-7-11(18)9-3-5-19-8-9/h3-6,8,11,18H,2,7H2,1H3,(H,15,16,17)
InChIKeyUXCHLWCLFRUSSD-UHFFFAOYSA-N
XLogP3.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 133430923
(1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 99776459
1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol
CID 133403079
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 133415292
2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436486
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403456
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133403780
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol (CID 133418146) is 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol is CCc1nc(NCC(O)c2ccsc2)c2ccsc2n1.
What is the InChIKey of 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The InChIKey is UXCHLWCLFRUSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-2-12-16-13(10-4-6-20-14(10)17-12)15-7-11(18)9-3-5-19-8-9/h3-6,8,11,18H,2,7H2,1H3,(H,15,16,17).
What are the key properties of 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol has a molecular weight of 305.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 133418146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).