5,7-dihydrothieno[3,4-d]pyrimidine

C6H6N2S — CID 22950284

IUPAC5,7-dihydrothieno[3,4-d]pyrimidine
SMILESc1ncc2c(n1)CSC2
InChIInChI=1S/C6H6N2S/c1-5-2-9-3-6(5)8-4-7-1/h1,4H,2-3H2
InChIKeyMTTVMWGKWFSWIX-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.22
Rot. Bonds

About 5,7-dihydrothieno[3,4-d]pyrimidine

5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 22950284) has the molecular formula C6H6N2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID22950284
Molecular FormulaC6H6N2S
Molecular Weight138.19 g/mol
Exact Mass138.03
IUPAC Name5,7-dihydrothieno[3,4-d]pyrimidine
SMILESc1ncc2c(n1)CSC2
InChIInChI=1S/C6H6N2S/c1-5-2-9-3-6(5)8-4-7-1/h1,4H,2-3H2
InChIKeyMTTVMWGKWFSWIX-UHFFFAOYSA-N
XLogP1.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 5,7-dihydrothieno[3,4-d]pyrimidine (CID 22950284) is 5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 5,7-dihydrothieno[3,4-d]pyrimidine is c1ncc2c(n1)CSC2.
What is the InChIKey of 5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is MTTVMWGKWFSWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c1-5-2-9-3-6(5)8-4-7-1/h1,4H,2-3H2.
What are the key properties of 5,7-dihydrothieno[3,4-d]pyrimidine?
5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 138.19 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 22950284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).