4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

C8H11N3OS — CID 5022898

IUPAC4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCSCc1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C8H11N3OS/c1-13-4-6-5-2-3-9-7(5)11-8(12)10-6/h2-4H2,1H3,(H2,9,10,11,12)
InChIKeyQEPZDTWHMHAUDW-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.60
Rot. Bonds2

About 4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 5022898) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID5022898
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCSCc1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C8H11N3OS/c1-13-4-6-5-2-3-9-7(5)11-8(12)10-6/h2-4H2,1H3,(H2,9,10,11,12)
InChIKeyQEPZDTWHMHAUDW-UHFFFAOYSA-N
XLogP0.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 5022898) is 4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is CSCc1[nH]c(=O)nc2c1CCN2.
What is the InChIKey of 4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is QEPZDTWHMHAUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-13-4-6-5-2-3-9-7(5)11-8(12)10-6/h2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 197.26 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 5022898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).