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

C12H15F3N4OS — CID 107495304

IUPAC2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCNc1nc(N(CCO)CC(F)(F)F)c2ccsc2n1
InChIInChI=1S/C12H15F3N4OS/c1-2-16-11-17-9(8-3-6-21-10(8)18-11)19(4-5-20)7-12(13,14)15/h3,6,20H,2,4-5,7H2,1H3,(H,16,17,18)
InChIKeyPMGYMLRCPYPIIN-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.48
Rot. Bonds6

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

2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495304) has the molecular formula C12H15F3N4OS and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495304
Molecular FormulaC12H15F3N4OS
Molecular Weight320.34 g/mol
Exact Mass320.09
IUPAC Name2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCNc1nc(N(CCO)CC(F)(F)F)c2ccsc2n1
InChIInChI=1S/C12H15F3N4OS/c1-2-16-11-17-9(8-3-6-21-10(8)18-11)19(4-5-20)7-12(13,14)15/h3,6,20H,2,4-5,7H2,1H3,(H,16,17,18)
InChIKeyPMGYMLRCPYPIIN-UHFFFAOYSA-N
XLogP2.48
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]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

3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103329993
2-N-ethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325505
4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330872
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325135
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326563
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324924
3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile
CID 103326361
4-N-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324590
N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333321
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol
CID 103325631
2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328589
4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326591

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495304) is 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol is CCNc1nc(N(CCO)CC(F)(F)F)c2ccsc2n1.
What is the InChIKey of 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is PMGYMLRCPYPIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4OS/c1-2-16-11-17-9(8-3-6-21-10(8)18-11)19(4-5-20)7-12(13,14)15/h3,6,20H,2,4-5,7H2,1H3,(H,16,17,18).
What are the key properties of 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 320.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).