2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide

C8H8Cl2N2O2S — CID 89494562

IUPAC2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide
SMILESCC1(C)c2nc(Cl)nc(Cl)c2CS1(=O)=O
InChIInChI=1S/C8H8Cl2N2O2S/c1-8(2)5-4(3-15(8,13)14)6(9)12-7(10)11-5/h3H2,1-2H3
InChIKeyVNHJCHRVYITJHU-UHFFFAOYSA-N
MW267.14 g/mol
LogP1.95
Rot. Bonds

About 2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide

2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide (PubChem CID 89494562) has the molecular formula C8H8Cl2N2O2S and a molecular weight of 267.14 g/mol. Its IUPAC name is 2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide.

Molecular Properties

Compound Name2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide
PubChem CID89494562
Molecular FormulaC8H8Cl2N2O2S
Molecular Weight267.14 g/mol
Exact Mass265.97
IUPAC Name2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide
SMILESCC1(C)c2nc(Cl)nc(Cl)c2CS1(=O)=O
InChIInChI=1S/C8H8Cl2N2O2S/c1-8(2)5-4(3-15(8,13)14)6(9)12-7(10)11-5/h3H2,1-2H3
InChIKeyVNHJCHRVYITJHU-UHFFFAOYSA-N
XLogP1.95
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide?
The IUPAC name of 2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide (CID 89494562) is 2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide.
What is the SMILES notation for 2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide?
The canonical SMILES for 2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide is CC1(C)c2nc(Cl)nc(Cl)c2CS1(=O)=O.
What is the InChIKey of 2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide?
The InChIKey is VNHJCHRVYITJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2S/c1-8(2)5-4(3-15(8,13)14)6(9)12-7(10)11-5/h3H2,1-2H3.
What are the key properties of 2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide?
2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide has a molecular weight of 267.14 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7,7-dimethyl-5H-thieno[3,4-d]pyrimidine 6,6-dioxide is sourced from PubChem (CID 89494562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).