6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine

C14H21N3O2S — CID 103333367

IUPAC6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(OCCOC(C)(C)C)nc(N)nc2s1
InChIInChI=1S/C14H21N3O2S/c1-5-9-8-10-11(16-13(15)17-12(10)20-9)18-6-7-19-14(2,3)4/h8H,5-7H2,1-4H3,(H2,15,16,17)
InChIKeyJJQHQNDBUWILNG-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.03
Rot. Bonds5

About 6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine

6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333367) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine
PubChem CID103333367
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(OCCOC(C)(C)C)nc(N)nc2s1
InChIInChI=1S/C14H21N3O2S/c1-5-9-8-10-11(16-13(15)17-12(10)20-9)18-6-7-19-14(2,3)4/h8H,5-7H2,1-4H3,(H2,15,16,17)
InChIKeyJJQHQNDBUWILNG-UHFFFAOYSA-N
XLogP3.03
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine (CID 103333367) is 6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(OCCOC(C)(C)C)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is JJQHQNDBUWILNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-5-9-8-10-11(16-13(15)17-12(10)20-9)18-6-7-19-14(2,3)4/h8H,5-7H2,1-4H3,(H2,15,16,17).
What are the key properties of 6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine?
6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 295.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).