5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one

C23H15N5O2S2 — CID 2999163

IUPAC5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccco3)csc2nc(SCc2cn3cccnc3n2)n1-c1ccccc1
InChIInChI=1S/C23H15N5O2S2/c29-21-19-17(18-8-4-11-30-18)14-31-20(19)26-23(28(21)16-6-2-1-3-7-16)32-13-15-12-27-10-5-9-24-22(27)25-15/h1-12,14H,13H2
InChIKeyINBZQYQWSCXYGF-UHFFFAOYSA-N
MW457.54 g/mol
LogP5.04
Rot. Bonds5

About 5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one

5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 2999163) has the molecular formula C23H15N5O2S2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID2999163
Molecular FormulaC23H15N5O2S2
Molecular Weight457.54 g/mol
Exact Mass457.07
IUPAC Name5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccco3)csc2nc(SCc2cn3cccnc3n2)n1-c1ccccc1
InChIInChI=1S/C23H15N5O2S2/c29-21-19-17(18-8-4-11-30-18)14-31-20(19)26-23(28(21)16-6-2-1-3-7-16)32-13-15-12-27-10-5-9-24-22(27)25-15/h1-12,14H,13H2
InChIKeyINBZQYQWSCXYGF-UHFFFAOYSA-N
XLogP5.04
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.54
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one (CID 2999163) is 5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one is O=c1c2c(-c3ccco3)csc2nc(SCc2cn3cccnc3n2)n1-c1ccccc1.
What is the InChIKey of 5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is INBZQYQWSCXYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O2S2/c29-21-19-17(18-8-4-11-30-18)14-31-20(19)26-23(28(21)16-6-2-1-3-7-16)32-13-15-12-27-10-5-9-24-22(27)25-15/h1-12,14H,13H2.
What are the key properties of 5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one?
5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 457.54 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2999163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).