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

C14H22N4OS — CID 103325635

IUPAC2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1nc(NC)nc2sc(CC)cc12
InChIInChI=1S/C14H22N4OS/c1-4-6-18(7-8-19)12-11-9-10(5-2)20-13(11)17-14(15-3)16-12/h9,19H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyYMCMZXRGCICSNY-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.50
Rot. Bonds7

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

2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol (PubChem CID 103325635) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol
PubChem CID103325635
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1nc(NC)nc2sc(CC)cc12
InChIInChI=1S/C14H22N4OS/c1-4-6-18(7-8-19)12-11-9-10(5-2)20-13(11)17-14(15-3)16-12/h9,19H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyYMCMZXRGCICSNY-UHFFFAOYSA-N
XLogP2.50
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.50
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]-methylamino]ethanol
CID 103324497
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol
CID 103325630
6-ethyl-2-hydrazinyl-N,N-dipropylthieno[2,3-d]pyrimidin-4-amine
CID 103335029
3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 103326409
6-ethyl-2-N,4-N-dimethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324672
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol
CID 103325631
2-[[2-(methylamino)quinazolin-4-yl]-propylamino]ethanol
CID 80795390
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
4-N,4-N,6-triethyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323820
4-N-cyclopropyl-6-ethyl-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324556
N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 103321374
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 103326354

Frequently Asked Questions

What is the IUPAC name of 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol?
The IUPAC name of 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol (CID 103325635) is 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol.
What is the SMILES notation for 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol?
The canonical SMILES for 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol is CCCN(CCO)c1nc(NC)nc2sc(CC)cc12.
What is the InChIKey of 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol?
The InChIKey is YMCMZXRGCICSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-4-6-18(7-8-19)12-11-9-10(5-2)20-13(11)17-14(15-3)16-12/h9,19H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol?
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol has a molecular weight of 294.42 g/mol, XLogP of 2.50, 7 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]-propylamino]ethanol is sourced from PubChem (CID 103325635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).