4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine

C7H7N3S — CID 3613640

IUPAC4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine
SMILESCSc1ncnc2c1CC=N2
InChIInChI=1S/C7H7N3S/c1-11-7-5-2-3-8-6(5)9-4-10-7/h3-4H,2H2,1H3
InChIKeyYWHYGMXTXLWSNL-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.46
Rot. Bonds1

About 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine

4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine (PubChem CID 3613640) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine
PubChem CID3613640
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine
SMILESCSc1ncnc2c1CC=N2
InChIInChI=1S/C7H7N3S/c1-11-7-5-2-3-8-6(5)9-4-10-7/h3-4H,2H2,1H3
InChIKeyYWHYGMXTXLWSNL-UHFFFAOYSA-N
XLogP1.46
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine (CID 3613640) is 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine is CSc1ncnc2c1CC=N2.
What is the InChIKey of 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is YWHYGMXTXLWSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-11-7-5-2-3-8-6(5)9-4-10-7/h3-4H,2H2,1H3.
What are the key properties of 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine?
4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 165.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 3613640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).