N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine

C13H19N3O2S — CID 102928811

IUPACN-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CCOCCOC)nc2sccc12
InChIInChI=1S/C13H19N3O2S/c1-3-14-12-10-5-9-19-13(10)16-11(15-12)4-6-18-8-7-17-2/h5,9H,3-4,6-8H2,1-2H3,(H,14,15,16)
InChIKeyUBQGPTYWDMNNON-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.33
Rot. Bonds8

About N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine

N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 102928811) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID102928811
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CCOCCOC)nc2sccc12
InChIInChI=1S/C13H19N3O2S/c1-3-14-12-10-5-9-19-13(10)16-11(15-12)4-6-18-8-7-17-2/h5,9H,3-4,6-8H2,1-2H3,(H,14,15,16)
InChIKeyUBQGPTYWDMNNON-UHFFFAOYSA-N
XLogP2.33
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.33
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 N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 102928811) is N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CCOCCOC)nc2sccc12.
What is the InChIKey of N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UBQGPTYWDMNNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-14-12-10-5-9-19-13(10)16-11(15-12)4-6-18-8-7-17-2/h5,9H,3-4,6-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 281.38 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 102928811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).