4,7-dimethylthieno[3,2-d]pyrimidine;ethane

C12H20N2S — CID 143718970

IUPAC4,7-dimethylthieno[3,2-d]pyrimidine;ethane
SMILESCC.CC.Cc1csc2c(C)ncnc12
InChIInChI=1S/C8H8N2S.2C2H6/c1-5-3-11-8-6(2)9-4-10-7(5)8;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyXPBNCLFXISAKTL-UHFFFAOYSA-N
MW224.37 g/mol
LogP4.36
Rot. Bonds

About 4,7-dimethylthieno[3,2-d]pyrimidine;ethane

4,7-dimethylthieno[3,2-d]pyrimidine;ethane (PubChem CID 143718970) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 4,7-dimethylthieno[3,2-d]pyrimidine;ethane.

Molecular Properties

Compound Name4,7-dimethylthieno[3,2-d]pyrimidine;ethane
PubChem CID143718970
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name4,7-dimethylthieno[3,2-d]pyrimidine;ethane
SMILESCC.CC.Cc1csc2c(C)ncnc12
InChIInChI=1S/C8H8N2S.2C2H6/c1-5-3-11-8-6(2)9-4-10-7(5)8;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyXPBNCLFXISAKTL-UHFFFAOYSA-N
XLogP4.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718992
1-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazine
CID 146460535
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)ethanamine
CID 102687222
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrazol-3-amine
CID 102687065
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine
CID 102687063
7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686212
7-methyl-N-(2,2,3,3-tetramethylcyclopropyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686575
N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686679
N-cycloheptyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686255
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 102686545

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylthieno[3,2-d]pyrimidine;ethane?
The IUPAC name of 4,7-dimethylthieno[3,2-d]pyrimidine;ethane (CID 143718970) is 4,7-dimethylthieno[3,2-d]pyrimidine;ethane.
What is the SMILES notation for 4,7-dimethylthieno[3,2-d]pyrimidine;ethane?
The canonical SMILES for 4,7-dimethylthieno[3,2-d]pyrimidine;ethane is CC.CC.Cc1csc2c(C)ncnc12.
What is the InChIKey of 4,7-dimethylthieno[3,2-d]pyrimidine;ethane?
The InChIKey is XPBNCLFXISAKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S.2C2H6/c1-5-3-11-8-6(2)9-4-10-7(5)8;2*1-2/h3-4H,1-2H3;2*1-2H3.
What are the key properties of 4,7-dimethylthieno[3,2-d]pyrimidine;ethane?
4,7-dimethylthieno[3,2-d]pyrimidine;ethane has a molecular weight of 224.37 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylthieno[3,2-d]pyrimidine;ethane is sourced from PubChem (CID 143718970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).