2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione

C19H14N2O2S — CID 4860361

IUPAC2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione
SMILESCCc1nc2sc3ccccc3c(=O)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H14N2O2S/c1-2-15-20-18-16(17(22)13-10-6-7-11-14(13)24-18)19(23)21(15)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyULANEJVFTIGDHB-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.52
Rot. Bonds2

About 2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione

2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 4860361) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID4860361
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione
SMILESCCc1nc2sc3ccccc3c(=O)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H14N2O2S/c1-2-15-20-18-16(17(22)13-10-6-7-11-14(13)24-18)19(23)21(15)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyULANEJVFTIGDHB-UHFFFAOYSA-N
XLogP3.52
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione
CID 2034964
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-(4-chlorophenyl)-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione
CID 2036503
3-(1-phenylethyl)-2-thiophen-2-ylthiochromeno[2,3-d]pyrimidine-4,5-dione
CID 4887767
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one
CID 144824418
10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione
CID 7678744
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
6-ethyl-3-ethynyl-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 145057452
5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144824878
6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 145057621
1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 12957684

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione (CID 4860361) is 2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione is CCc1nc2sc3ccccc3c(=O)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is ULANEJVFTIGDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-2-15-20-18-16(17(22)13-10-6-7-11-14(13)24-18)19(23)21(15)12-8-4-3-5-9-12/h3-11H,2H2,1H3.
What are the key properties of 2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione?
2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 334.40 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 4860361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).