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

C7H6Cl2N2O2S — CID 89487102

IUPAC2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESCC1c2c(Cl)nc(Cl)nc2CS1(=O)=O
InChIInChI=1S/C7H6Cl2N2O2S/c1-3-5-4(2-14(3,12)13)10-7(9)11-6(5)8/h3H,2H2,1H3
InChIKeyYBTDAKUUCITQKF-UHFFFAOYSA-N
MW253.11 g/mol
LogP1.77
Rot. Bonds

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

2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (PubChem CID 89487102) has the molecular formula C7H6Cl2N2O2S and a molecular weight of 253.11 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
PubChem CID89487102
Molecular FormulaC7H6Cl2N2O2S
Molecular Weight253.11 g/mol
Exact Mass251.95
IUPAC Name2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESCC1c2c(Cl)nc(Cl)nc2CS1(=O)=O
InChIInChI=1S/C7H6Cl2N2O2S/c1-3-5-4(2-14(3,12)13)10-7(9)11-6(5)8/h3H,2H2,1H3
InChIKeyYBTDAKUUCITQKF-UHFFFAOYSA-N
XLogP1.77
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.11
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The IUPAC name of 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (CID 89487102) is 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.
What is the SMILES notation for 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The canonical SMILES for 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is CC1c2c(Cl)nc(Cl)nc2CS1(=O)=O.
What is the InChIKey of 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The InChIKey is YBTDAKUUCITQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2S/c1-3-5-4(2-14(3,12)13)10-7(9)11-6(5)8/h3H,2H2,1H3.
What are the key properties of 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide has a molecular weight of 253.11 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is sourced from PubChem (CID 89487102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).