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

C12H18N4OS — CID 103324497

IUPAC2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
SMILESCCc1cc2c(N(C)CCO)nc(NC)nc2s1
InChIInChI=1S/C12H18N4OS/c1-4-8-7-9-10(16(3)5-6-17)14-12(13-2)15-11(9)18-8/h7,17H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyNBMJXEXJLCUZLM-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.72
Rot. Bonds5

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

2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol (PubChem CID 103324497) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
PubChem CID103324497
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
SMILESCCc1cc2c(N(C)CCO)nc(NC)nc2s1
InChIInChI=1S/C12H18N4OS/c1-4-8-7-9-10(16(3)5-6-17)14-12(13-2)15-11(9)18-8/h7,17H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyNBMJXEXJLCUZLM-UHFFFAOYSA-N
XLogP1.72
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-2-N,4-N-dimethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324672
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol
CID 103325635
3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 103326409
4-N-[2-(dimethylamino)ethyl]-2-N,6-diethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327863
N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334096
4-N-cyclopropyl-6-ethyl-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324556
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 103326354
6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330552
4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332122
6-ethyl-2-N,4-N-dimethyl-4-N-(oxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329429
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 103332235

Frequently Asked Questions

What is the IUPAC name of 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol?
The IUPAC name of 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol (CID 103324497) is 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol is CCc1cc2c(N(C)CCO)nc(NC)nc2s1.
What is the InChIKey of 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol?
The InChIKey is NBMJXEXJLCUZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-4-8-7-9-10(16(3)5-6-17)14-12(13-2)15-11(9)18-8/h7,17H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol?
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol has a molecular weight of 266.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol is sourced from PubChem (CID 103324497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).