2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C17H20N4O2S — CID 45279275

IUPAC2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)o1
InChIInChI=1S/C17H20N4O2S/c1-2-11-3-4-14(23-11)16-19-15(18)13-9-12(24-17(13)20-16)10-21-5-7-22-8-6-21/h3-4,9H,2,5-8,10H2,1H3,(H2,18,19,20)
InChIKeyRRCZCUQRGGLIMB-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.93
Rot. Bonds4

About 2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45279275) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45279275
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)o1
InChIInChI=1S/C17H20N4O2S/c1-2-11-3-4-14(23-11)16-19-15(18)13-9-12(24-17(13)20-16)10-21-5-7-22-8-6-21/h3-4,9H,2,5-8,10H2,1H3,(H2,18,19,20)
InChIKeyRRCZCUQRGGLIMB-UHFFFAOYSA-N
XLogP2.93
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 45279275) is 2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1ccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)o1.
What is the InChIKey of 2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RRCZCUQRGGLIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-2-11-3-4-14(23-11)16-19-15(18)13-9-12(24-17(13)20-16)10-21-5-7-22-8-6-21/h3-4,9H,2,5-8,10H2,1H3,(H2,18,19,20).
What are the key properties of 2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 344.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45279275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).