1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one

C16H16N4O2S — CID 45279728

IUPAC1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one
SMILESNc1nc(-c2ccco2)nc2sc(CN3CCC(=O)CC3)cc12
InChIInChI=1S/C16H16N4O2S/c17-14-12-8-11(9-20-5-3-10(21)4-6-20)23-16(12)19-15(18-14)13-2-1-7-22-13/h1-2,7-8H,3-6,9H2,(H2,17,18,19)
InChIKeyLHLASRBBJLLXBC-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.70
Rot. Bonds3

About 1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one

1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one (PubChem CID 45279728) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one
PubChem CID45279728
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one
SMILESNc1nc(-c2ccco2)nc2sc(CN3CCC(=O)CC3)cc12
InChIInChI=1S/C16H16N4O2S/c17-14-12-8-11(9-20-5-3-10(21)4-6-20)23-16(12)19-15(18-14)13-2-1-7-22-13/h1-2,7-8H,3-6,9H2,(H2,17,18,19)
InChIKeyLHLASRBBJLLXBC-UHFFFAOYSA-N
XLogP2.70
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one?
The IUPAC name of 1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one (CID 45279728) is 1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one.
What is the SMILES notation for 1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one?
The canonical SMILES for 1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one is Nc1nc(-c2ccco2)nc2sc(CN3CCC(=O)CC3)cc12.
What is the InChIKey of 1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one?
The InChIKey is LHLASRBBJLLXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c17-14-12-8-11(9-20-5-3-10(21)4-6-20)23-16(12)19-15(18-14)13-2-1-7-22-13/h1-2,7-8H,3-6,9H2,(H2,17,18,19).
What are the key properties of 1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one?
1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one has a molecular weight of 328.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one is sourced from PubChem (CID 45279728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).