2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol

C14H22N4O2S — CID 103327253

IUPAC2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCCNc1nc(NCCOCCO)c2cc(CC)sc2n1
InChIInChI=1S/C14H22N4O2S/c1-3-10-9-11-12(16-5-7-20-8-6-19)17-14(15-4-2)18-13(11)21-10/h9,19H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyFWFIRQSAWRXQAD-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.11
Rot. Bonds9

About 2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol

2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol (PubChem CID 103327253) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
PubChem CID103327253
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCCNc1nc(NCCOCCO)c2cc(CC)sc2n1
InChIInChI=1S/C14H22N4O2S/c1-3-10-9-11-12(16-5-7-20-8-6-19)17-14(15-4-2)18-13(11)21-10/h9,19H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyFWFIRQSAWRXQAD-UHFFFAOYSA-N
XLogP2.11
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol 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

2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol
CID 106311471
6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326772
1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol
CID 103330320
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103335072
4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466672
[1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329341
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 6460527
2-chloro-6-ethyl-N-[2-(3-methylbutoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321341

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol (CID 103327253) is 2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol is CCNc1nc(NCCOCCO)c2cc(CC)sc2n1.
What is the InChIKey of 2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol?
The InChIKey is FWFIRQSAWRXQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-10-9-11-12(16-5-7-20-8-6-19)17-14(15-4-2)18-13(11)21-10/h9,19H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol?
2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol has a molecular weight of 310.42 g/mol, XLogP of 2.11, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 103327253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).