2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol

C20H25N3OS — CID 28848658

IUPAC2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCc1sc2ncnc(N(CC)CCO)c2c1-c1ccc(C)c(C)c1
InChIInChI=1S/C20H25N3OS/c1-5-16-17(15-8-7-13(3)14(4)11-15)18-19(23(6-2)9-10-24)21-12-22-20(18)25-16/h7-8,11-12,24H,5-6,9-10H2,1-4H3
InChIKeyDVZLIJSLLBGOFQ-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.36
Rot. Bonds6

About 2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol

2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol (PubChem CID 28848658) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol
PubChem CID28848658
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCc1sc2ncnc(N(CC)CCO)c2c1-c1ccc(C)c(C)c1
InChIInChI=1S/C20H25N3OS/c1-5-16-17(15-8-7-13(3)14(4)11-15)18-19(23(6-2)9-10-24)21-12-22-20(18)25-16/h7-8,11-12,24H,5-6,9-10H2,1-4H3
InChIKeyDVZLIJSLLBGOFQ-UHFFFAOYSA-N
XLogP4.36
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol (CID 28848658) is 2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol is CCc1sc2ncnc(N(CC)CCO)c2c1-c1ccc(C)c(C)c1.
What is the InChIKey of 2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol?
The InChIKey is DVZLIJSLLBGOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-5-16-17(15-8-7-13(3)14(4)11-15)18-19(23(6-2)9-10-24)21-12-22-20(18)25-16/h7-8,11-12,24H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol?
2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol has a molecular weight of 355.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]-ethylamino]ethanol is sourced from PubChem (CID 28848658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).