2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C7H7N3OS — CID 55279068

IUPAC2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCSc1ncc2c(n1)NC(=O)C2
InChIInChI=1S/C7H7N3OS/c1-12-7-8-3-4-2-5(11)9-6(4)10-7/h3H,2H2,1H3,(H,8,9,10,11)
InChIKeyZQSFYLNLENLZHO-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.69
Rot. Bonds1

About 2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 55279068) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID55279068
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCSc1ncc2c(n1)NC(=O)C2
InChIInChI=1S/C7H7N3OS/c1-12-7-8-3-4-2-5(11)9-6(4)10-7/h3H,2H2,1H3,(H,8,9,10,11)
InChIKeyZQSFYLNLENLZHO-UHFFFAOYSA-N
XLogP0.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 55279068) is 2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is CSc1ncc2c(n1)NC(=O)C2.
What is the InChIKey of 2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is ZQSFYLNLENLZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-12-7-8-3-4-2-5(11)9-6(4)10-7/h3H,2H2,1H3,(H,8,9,10,11).
What are the key properties of 2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 181.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 55279068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).