4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine

C15H12N4S — CID 1069561

IUPAC4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(-n3cnc4ccccc43)c2c1C
InChIInChI=1S/C15H12N4S/c1-9-10(2)20-15-13(9)14(16-7-17-15)19-8-18-11-5-3-4-6-12(11)19/h3-8H,1-2H3
InChIKeyXWVHUTUPGMFKNO-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.65
Rot. Bonds1

About 4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine

4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 1069561) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID1069561
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(-n3cnc4ccccc43)c2c1C
InChIInChI=1S/C15H12N4S/c1-9-10(2)20-15-13(9)14(16-7-17-15)19-8-18-11-5-3-4-6-12(11)19/h3-8H,1-2H3
InChIKeyXWVHUTUPGMFKNO-UHFFFAOYSA-N
XLogP3.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 1069561) is 4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(-n3cnc4ccccc43)c2c1C.
What is the InChIKey of 4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is XWVHUTUPGMFKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c1-9-10(2)20-15-13(9)14(16-7-17-15)19-8-18-11-5-3-4-6-12(11)19/h3-8H,1-2H3.
What are the key properties of 4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 280.36 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 1069561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).