2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C17H20N4OS — CID 45279632

IUPAC2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CN4CCCCC4)sc3n2)o1
InChIInChI=1S/C17H20N4OS/c1-11-5-6-14(22-11)16-19-15(18)13-9-12(23-17(13)20-16)10-21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3,(H2,18,19,20)
InChIKeyFOJYUPBAOXSZNU-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.83
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45279632) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45279632
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CN4CCCCC4)sc3n2)o1
InChIInChI=1S/C17H20N4OS/c1-11-5-6-14(22-11)16-19-15(18)13-9-12(23-17(13)20-16)10-21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3,(H2,18,19,20)
InChIKeyFOJYUPBAOXSZNU-UHFFFAOYSA-N
XLogP3.83
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 45279632) is 2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3cc(CN4CCCCC4)sc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FOJYUPBAOXSZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11-5-6-14(22-11)16-19-15(18)13-9-12(23-17(13)20-16)10-21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3,(H2,18,19,20).
What are the key properties of 2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 328.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45279632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).