4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine

C13H12N2OS2 — CID 717861

IUPAC4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(SCc3ccco3)c2c1C
InChIInChI=1S/C13H12N2OS2/c1-8-9(2)18-13-11(8)12(14-7-15-13)17-6-10-4-3-5-16-10/h3-5,7H,6H2,1-2H3
InChIKeyLLCJPEYFAZGWET-UHFFFAOYSA-N
MW276.39 g/mol
LogP4.19
Rot. Bonds3

About 4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine

4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 717861) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID717861
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(SCc3ccco3)c2c1C
InChIInChI=1S/C13H12N2OS2/c1-8-9(2)18-13-11(8)12(14-7-15-13)17-6-10-4-3-5-16-10/h3-5,7H,6H2,1-2H3
InChIKeyLLCJPEYFAZGWET-UHFFFAOYSA-N
XLogP4.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 650703
N-[(Furan-2-Yl)methyl]-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Amine
CID 837191
2-(2-Cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 655638
2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide
CID 664810
N-(2-furylmethyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide
CID 963163
Ethyl 4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 1668622
N-(2-furanylmethyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-d]pyrimidin-4-ylthio)acetamide
CID 2200557
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2612432
5-[[(5,6-Dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-2-furancarboxylic acid methyl ester
CID 2612441
(6-Ethyl-6-methyl-2-propylsulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-furan-2-yl methyl-amine
CID 4564042
N-(furan-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 4882721
4-(2-(Furan-2-ylmethylene)hydrazinyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
CID 9584826

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 717861) is 4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(SCc3ccco3)c2c1C.
What is the InChIKey of 4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is LLCJPEYFAZGWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-8-9(2)18-13-11(8)12(14-7-15-13)17-6-10-4-3-5-16-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 276.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 717861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).