2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile

C20H16N4O2S2 — CID 25408886

IUPAC2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile
SMILESCc1nc(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)c(C#N)c(C)c1C
InChIInChI=1S/C20H16N4O2S2/c1-10-11(2)13(7-21)19(22-12(10)3)28-9-16-23-18(25)17-14(8-27-20(17)24-16)15-5-4-6-26-15/h4-6,8H,9H2,1-3H3,(H,23,24,25)
InChIKeyAONFUSRUIJEBCC-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.73
Rot. Bonds4

About 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile

2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile (PubChem CID 25408886) has the molecular formula C20H16N4O2S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile
PubChem CID25408886
Molecular FormulaC20H16N4O2S2
Molecular Weight408.51 g/mol
Exact Mass408.07
IUPAC Name2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile
SMILESCc1nc(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)c(C#N)c(C)c1C
InChIInChI=1S/C20H16N4O2S2/c1-10-11(2)13(7-21)19(22-12(10)3)28-9-16-23-18(25)17-14(8-27-20(17)24-16)15-5-4-6-26-15/h4-6,8H,9H2,1-3H3,(H,23,24,25)
InChIKeyAONFUSRUIJEBCC-UHFFFAOYSA-N
XLogP4.73
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile with MolForge

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Related Compounds

3-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanenitrile
CID 39158911
2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 24630119
2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 18197513
[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 8784654
1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide
CID 9291984
2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784701
5-(furan-2-yl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 18197519
2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8784607
5-(furan-2-yl)-2-[1-[(1-methylpyrazol-3-yl)methylsulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 75456629
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 18197556
5-(furan-2-yl)-2-[1-(2-methylphenyl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 60561787
2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide
CID 18197538

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile (CID 25408886) is 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile is Cc1nc(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)c(C#N)c(C)c1C.
What is the InChIKey of 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile?
The InChIKey is AONFUSRUIJEBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S2/c1-10-11(2)13(7-21)19(22-12(10)3)28-9-16-23-18(25)17-14(8-27-20(17)24-16)15-5-4-6-26-15/h4-6,8H,9H2,1-3H3,(H,23,24,25).
What are the key properties of 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile?
2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile has a molecular weight of 408.51 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile is sourced from PubChem (CID 25408886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).