2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol

C13H20N4OS — CID 103325630

IUPAC2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C13H20N4OS/c1-3-5-17(6-7-18)11-10-8-9(4-2)19-12(10)16-13(14)15-11/h8,18H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyXFMBKAXEDCTCQF-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.04
Rot. Bonds6

About 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol

2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol (PubChem CID 103325630) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol
PubChem CID103325630
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C13H20N4OS/c1-3-5-17(6-7-18)11-10-8-9(4-2)19-12(10)16-13(14)15-11/h8,18H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyXFMBKAXEDCTCQF-UHFFFAOYSA-N
XLogP2.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol
CID 103325635
6-ethyl-2-hydrazinyl-N,N-dipropylthieno[2,3-d]pyrimidin-4-amine
CID 103335029
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide
CID 103326538
6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324668
4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325707
N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 103321374
2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxyethanol
CID 103331574
4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326475
3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol
CID 103331610
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol
CID 103325631
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide
CID 103326256
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 103326326

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol?
The IUPAC name of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol (CID 103325630) is 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol is CCCN(CCO)c1nc(N)nc2sc(CC)cc12.
What is the InChIKey of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol?
The InChIKey is XFMBKAXEDCTCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-3-5-17(6-7-18)11-10-8-9(4-2)19-12(10)16-13(14)15-11/h8,18H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol?
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol has a molecular weight of 280.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol is sourced from PubChem (CID 103325630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).