2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol

C11H15N3O2S — CID 28850882

IUPAC2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol
SMILESCc1cc2c(NCCOCCO)ncnc2s1
InChIInChI=1S/C11H15N3O2S/c1-8-6-9-10(12-2-4-16-5-3-15)13-7-14-11(9)17-8/h6-7,15H,2-5H2,1H3,(H,12,13,14)
InChIKeyFPNQDPAYJCXZTA-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.42
Rot. Bonds6

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

2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol (PubChem CID 28850882) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol
PubChem CID28850882
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol
SMILESCc1cc2c(NCCOCCO)ncnc2s1
InChIInChI=1S/C11H15N3O2S/c1-8-6-9-10(12-2-4-16-5-3-15)13-7-14-11(9)17-8/h6-7,15H,2-5H2,1H3,(H,12,13,14)
InChIKeyFPNQDPAYJCXZTA-UHFFFAOYSA-N
XLogP1.42
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408034
4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 28850872
2-[3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propoxy]ethanol
CID 114171977
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 133408802
2-[2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825941
2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol
CID 106311471
2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 28850591
N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084785
N-[2-(cyclohexen-1-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 4525988
2-[2-(quinazolin-4-ylamino)ethoxy]ethanol
CID 7140376
2-[2-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 17017577

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol (CID 28850882) is 2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol is Cc1cc2c(NCCOCCO)ncnc2s1.
What is the InChIKey of 2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol?
The InChIKey is FPNQDPAYJCXZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8-6-9-10(12-2-4-16-5-3-15)13-7-14-11(9)17-8/h6-7,15H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol?
2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol has a molecular weight of 253.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 28850882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).