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

C13H14N4S — CID 63812315

IUPAC4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCCc1nccn1-c1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H14N4S/c1-4-10-14-5-6-17(10)12-11-8(2)9(3)18-13(11)16-7-15-12/h5-7H,4H2,1-3H3
InChIKeyZMADABPFWIVLPB-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.06
Rot. Bonds2

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

4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 63812315) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID63812315
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCCc1nccn1-c1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H14N4S/c1-4-10-14-5-6-17(10)12-11-8(2)9(3)18-13(11)16-7-15-12/h5-7H,4H2,1-3H3
InChIKeyZMADABPFWIVLPB-UHFFFAOYSA-N
XLogP3.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine
CID 63730231
4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 1069561
2-(2-ethylimidazol-1-yl)-3-methylpyrazine
CID 83066556
5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 705854
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 34009296
4-[4-(bromomethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80670146
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 9279863
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
4-[4-(4-chlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 35475008
5,6-dimethyl-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 8566414
6-(2-ethylimidazol-1-yl)-5-methylpyridin-3-amine
CID 62476570
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 1039191

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 63812315) is 4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine is CCc1nccn1-c1ncnc2sc(C)c(C)c12.
What is the InChIKey of 4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is ZMADABPFWIVLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-4-10-14-5-6-17(10)12-11-8(2)9(3)18-13(11)16-7-15-12/h5-7H,4H2,1-3H3.
What are the key properties of 4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 258.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 63812315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).