4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

C8H9N3OS — CID 5381876

IUPAC4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1nc(SC)nc2[nH]ccc12
InChIInChI=1S/C8H9N3OS/c1-12-7-5-3-4-9-6(5)10-8(11-7)13-2/h3-4H,1-2H3,(H,9,10,11)
InChIKeyJQXZEEDISDHTRT-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.69
Rot. Bonds2

About 4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 5381876) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID5381876
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1nc(SC)nc2[nH]ccc12
InChIInChI=1S/C8H9N3OS/c1-12-7-5-3-4-9-6(5)10-8(11-7)13-2/h3-4H,1-2H3,(H,9,10,11)
InChIKeyJQXZEEDISDHTRT-UHFFFAOYSA-N
XLogP1.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (CID 5381876) is 4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is COc1nc(SC)nc2[nH]ccc12.
What is the InChIKey of 4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is JQXZEEDISDHTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-12-7-5-3-4-9-6(5)10-8(11-7)13-2/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of 4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 195.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 5381876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).