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

C9H9ClN2O2S — CID 59686253

IUPAC4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESO=S1(=O)Cc2nc(C3CC3)nc(Cl)c2C1
InChIInChI=1S/C9H9ClN2O2S/c10-8-6-3-15(13,14)4-7(6)11-9(12-8)5-1-2-5/h5H,1-4H2
InChIKeyDYALPXWJVNTSJR-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.44
Rot. Bonds1

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

4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (PubChem CID 59686253) has the molecular formula C9H9ClN2O2S and a molecular weight of 244.70 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
PubChem CID59686253
Molecular FormulaC9H9ClN2O2S
Molecular Weight244.70 g/mol
Exact Mass244.01
IUPAC Name4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESO=S1(=O)Cc2nc(C3CC3)nc(Cl)c2C1
InChIInChI=1S/C9H9ClN2O2S/c10-8-6-3-15(13,14)4-7(6)11-9(12-8)5-1-2-5/h5H,1-4H2
InChIKeyDYALPXWJVNTSJR-UHFFFAOYSA-N
XLogP1.44
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The IUPAC name of 4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (CID 59686253) is 4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The canonical SMILES for 4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is O=S1(=O)Cc2nc(C3CC3)nc(Cl)c2C1.
What is the InChIKey of 4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The InChIKey is DYALPXWJVNTSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S/c10-8-6-3-15(13,14)4-7(6)11-9(12-8)5-1-2-5/h5H,1-4H2.
What are the key properties of 4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide has a molecular weight of 244.70 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is sourced from PubChem (CID 59686253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).