2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C7H7N3OS — CID 135478869

IUPAC2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCSc1nc2[nH]ccc2c(=O)[nH]1
InChIInChI=1S/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11)
InChIKeyYLZXOIATWSHVDK-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.97
Rot. Bonds1

About 2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135478869) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135478869
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCSc1nc2[nH]ccc2c(=O)[nH]1
InChIInChI=1S/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11)
InChIKeyYLZXOIATWSHVDK-UHFFFAOYSA-N
XLogP0.97
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135478869) is 2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CSc1nc2[nH]ccc2c(=O)[nH]1.
What is the InChIKey of 2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is YLZXOIATWSHVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11).
What are the key properties of 2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 181.22 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135478869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).