6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C8H9N3OS — CID 67034987

IUPAC6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(=S)[nH]c2[nH]1
InChIInChI=1S/C8H9N3OS/c1-2-4-3-5-6(9-4)10-8(13)11-7(5)12/h3H,2H2,1H3,(H3,9,10,11,12,13)
InChIKeyAZWSZNQCOPDGSS-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.48
Rot. Bonds1

About 6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 67034987) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID67034987
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(=S)[nH]c2[nH]1
InChIInChI=1S/C8H9N3OS/c1-2-4-3-5-6(9-4)10-8(13)11-7(5)12/h3H,2H2,1H3,(H3,9,10,11,12,13)
InChIKeyAZWSZNQCOPDGSS-UHFFFAOYSA-N
XLogP1.48
TPSA64.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-Amino-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135453810
1,3-Dimethyl-6-phenyl-1,7-dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 44285952
6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135493707
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 1-phenyl-3,5,6-trimethyl-
CID 218467
N-((6-Methylpyridin-2-yl)carbamothioyl)benzamide
CID 2189476
2-Mercapto-6-methyl-9H-pyrimido[4,5-b]indol-4-ol
CID 3005186
(4-bromophenyl)(5,7,7-trimethyl-7H-imidazo[2,1-b][1,3]thiazin-3-yl)methanone
CID 135460931
2-Amino-6-phenethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135479891
5-(4-Fluorophenyl)-6-methyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 132606205
6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diol
CID 68387390
2-Amino-6-ethyl-3,7-dihydro-pyrrolo
CID 135438441
2-Amino-6-(2-aminoethyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
CID 152552673

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 67034987) is 6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)[nH]c(=S)[nH]c2[nH]1.
What is the InChIKey of 6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is AZWSZNQCOPDGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-2-4-3-5-6(9-4)10-8(13)11-7(5)12/h3H,2H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 195.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 67034987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).