2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C13H19N3O2S — CID 62193550

IUPAC2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COCCOC)nc2sc(C)c(C)c12
InChIInChI=1S/C13H19N3O2S/c1-8-9(2)19-13-11(8)12(14-3)15-10(16-13)7-18-6-5-17-4/h5-7H2,1-4H3,(H,14,15,16)
InChIKeyISTNIDKPKZWSMJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.51
Rot. Bonds6

About 2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62193550) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62193550
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COCCOC)nc2sc(C)c(C)c12
InChIInChI=1S/C13H19N3O2S/c1-8-9(2)19-13-11(8)12(14-3)15-10(16-13)7-18-6-5-17-4/h5-7H2,1-4H3,(H,14,15,16)
InChIKeyISTNIDKPKZWSMJ-UHFFFAOYSA-N
XLogP2.51
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.51
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 2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 62193550) is 2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(COCCOC)nc2sc(C)c(C)c12.
What is the InChIKey of 2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ISTNIDKPKZWSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8-9(2)19-13-11(8)12(14-3)15-10(16-13)7-18-6-5-17-4/h5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 281.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62193550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).