5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine

C18H19N3O2S — CID 2960716

IUPAC5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1ncnc2scc(C3COc4ccccc4O3)c12
InChIInChI=1S/C18H19N3O2S/c1-3-21(4-2)17-16-12(10-24-18(16)20-11-19-17)15-9-22-13-7-5-6-8-14(13)23-15/h5-8,10-11,15H,3-4,9H2,1-2H3
InChIKeyLUURBQJWILSPPZ-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.05
Rot. Bonds4

About 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine

5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2960716) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2960716
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1ncnc2scc(C3COc4ccccc4O3)c12
InChIInChI=1S/C18H19N3O2S/c1-3-21(4-2)17-16-12(10-24-18(16)20-11-19-17)15-9-22-13-7-5-6-8-14(13)23-15/h5-8,10-11,15H,3-4,9H2,1-2H3
InChIKeyLUURBQJWILSPPZ-UHFFFAOYSA-N
XLogP4.05
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine (CID 2960716) is 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine is CCN(CC)c1ncnc2scc(C3COc4ccccc4O3)c12.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LUURBQJWILSPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-21(4-2)17-16-12(10-24-18(16)20-11-19-17)15-9-22-13-7-5-6-8-14(13)23-15/h5-8,10-11,15H,3-4,9H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine?
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 341.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2960716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).