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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CID 695484
Ikk-IN-3
CID 10215156
2-[3-(Cyclohexylmethyl)-5-Phenyl-Imidazol-4-Yl]-[1,3]thiazolo[4,5-E]pyrimidin-7-Amine
CID 10362983
N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11173949
9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850634
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
4-(4-Fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083789
4-(4-fluorophenyl)-N,12-dimethyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083790
N-ethyl-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083906

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).