2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide

C7H7ClN2O2S — CID 105473389

IUPAC2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESCc1nc(Cl)nc2c1CS(=O)(=O)C2
InChIInChI=1S/C7H7ClN2O2S/c1-4-5-2-13(11,12)3-6(5)10-7(8)9-4/h2-3H2,1H3
InChIKeyADTNGWSATLFHQN-UHFFFAOYSA-N
MW218.66 g/mol
LogP0.87
Rot. Bonds

About 2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide

2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (PubChem CID 105473389) has the molecular formula C7H7ClN2O2S and a molecular weight of 218.66 g/mol. Its IUPAC name is 2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.

Molecular Properties

Compound Name2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
PubChem CID105473389
Molecular FormulaC7H7ClN2O2S
Molecular Weight218.66 g/mol
Exact Mass217.99
IUPAC Name2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESCc1nc(Cl)nc2c1CS(=O)(=O)C2
InChIInChI=1S/C7H7ClN2O2S/c1-4-5-2-13(11,12)3-6(5)10-7(8)9-4/h2-3H2,1H3
InChIKeyADTNGWSATLFHQN-UHFFFAOYSA-N
XLogP0.87
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The IUPAC name of 2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (CID 105473389) is 2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.
What is the SMILES notation for 2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The canonical SMILES for 2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is Cc1nc(Cl)nc2c1CS(=O)(=O)C2.
What is the InChIKey of 2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The InChIKey is ADTNGWSATLFHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2S/c1-4-5-2-13(11,12)3-6(5)10-7(8)9-4/h2-3H2,1H3.
What are the key properties of 2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide has a molecular weight of 218.66 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is sourced from PubChem (CID 105473389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).