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

C15H12N4S2 — CID 934186

IUPAC4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Sc3nc4ccccc4[nH]3)c2c1C
InChIInChI=1S/C15H12N4S2/c1-8-9(2)20-13-12(8)14(17-7-16-13)21-15-18-10-5-3-4-6-11(10)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyNWDJYAXDXGNJBH-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.34
Rot. Bonds2

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

4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 934186) has the molecular formula C15H12N4S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID934186
Molecular FormulaC15H12N4S2
Molecular Weight312.42 g/mol
Exact Mass312.05
IUPAC Name4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Sc3nc4ccccc4[nH]3)c2c1C
InChIInChI=1S/C15H12N4S2/c1-8-9(2)20-13-12(8)14(17-7-16-13)21-15-18-10-5-3-4-6-11(10)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyNWDJYAXDXGNJBH-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 934186) is 4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(Sc3nc4ccccc4[nH]3)c2c1C.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is NWDJYAXDXGNJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S2/c1-8-9(2)20-13-12(8)14(17-7-16-13)21-15-18-10-5-3-4-6-11(10)19-15/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 312.42 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 934186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).