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

C6H5ClN2O2S — CID 105456939

IUPAC2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESO=S1(=O)Cc2cnc(Cl)nc2C1
InChIInChI=1S/C6H5ClN2O2S/c7-6-8-1-4-2-12(10,11)3-5(4)9-6/h1H,2-3H2
InChIKeySPHRHSDASJTVEH-UHFFFAOYSA-N
MW204.64 g/mol
LogP0.56
Rot. Bonds

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

2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (PubChem CID 105456939) has the molecular formula C6H5ClN2O2S and a molecular weight of 204.64 g/mol. Its IUPAC name is 2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.

Molecular Properties

Compound Name2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
PubChem CID105456939
Molecular FormulaC6H5ClN2O2S
Molecular Weight204.64 g/mol
Exact Mass203.98
IUPAC Name2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESO=S1(=O)Cc2cnc(Cl)nc2C1
InChIInChI=1S/C6H5ClN2O2S/c7-6-8-1-4-2-12(10,11)3-5(4)9-6/h1H,2-3H2
InChIKeySPHRHSDASJTVEH-UHFFFAOYSA-N
XLogP0.56
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.64
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Dihydro-2-methylthieno(3,4-d)pyrimidine
CID 61951
5,7-Dihydrothieno[3,4-d]pyrimidine
CID 22950284
6-(isopropylsulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 90585434
2-Methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 15264190
(4-Methylpyrimidin-5-yl)methanesulfonyl fluoride
CID 165869032
6-(methylsulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 71805828
6-(cyclopropylsulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 71805830
6-(cyclohexylsulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 71805834
2-Chloro-4-(methylsulfonylmethyl)pyrimidine
CID 18981510
Sodium 3-(4,5-dimethylpyrimidin-2-yl)sulfanylpropane-1-sulfonate
CID 21043247
3-(4,5-Dimethylpyrimidin-2-yl)sulfanylpropane-1-sulfonic acid
CID 21043248
2-Chloro-4-methyl-5-methylsulfonylpyrimidine
CID 21567134

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The IUPAC name of 2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (CID 105456939) is 2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.
What is the SMILES notation for 2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The canonical SMILES for 2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is O=S1(=O)Cc2cnc(Cl)nc2C1.
What is the InChIKey of 2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The InChIKey is SPHRHSDASJTVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2S/c7-6-8-1-4-2-12(10,11)3-5(4)9-6/h1H,2-3H2.
What are the key properties of 2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide has a molecular weight of 204.64 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is sourced from PubChem (CID 105456939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).