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

C23H20N2O2S — CID 2034964

IUPAC2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione
SMILESO=c1c2ccccc2sc2nc(C3CCCCC3)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C23H20N2O2S/c26-20-17-13-7-8-14-18(17)28-22-19(20)23(27)25(16-11-5-2-6-12-16)21(24-22)15-9-3-1-4-10-15/h2,5-8,11-15H,1,3-4,9-10H2
InChIKeyOYIAMYGTDDFOLN-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.01
Rot. Bonds2

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

2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 2034964) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID2034964
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione
SMILESO=c1c2ccccc2sc2nc(C3CCCCC3)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C23H20N2O2S/c26-20-17-13-7-8-14-18(17)28-22-19(20)23(27)25(16-11-5-2-6-12-16)21(24-22)15-9-3-1-4-10-15/h2,5-8,11-15H,1,3-4,9-10H2
InChIKeyOYIAMYGTDDFOLN-UHFFFAOYSA-N
XLogP5.01
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.01
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-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione
CID 4860361
2-cyclohexyl-3-(4-iodophenyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione
CID 139480524
2-cyclobutyl-6,7,8-trimethyl-3-phenylpyrido[2,3-d]pyrimidine-4,5-dione
CID 118560833
12-cyclobutyl-2,5-dimethyl-11-phenyl-6-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7),4,12-tetraene-8,10-dione
CID 130200311
3-(4-chlorophenyl)-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione
CID 2036503
2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one
CID 58828606
3-cyclopropyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 130188546
2-cyclopentyl-5-methylidene-3-phenyl-8,10-dihydro-7H-pyrimido[4,5-b]quinolin-4-one
CID 153341731
3-cyclohexyl-4,5-diphenyl-1,2,4-triazole
CID 58240241
2-cyclohexyl-1-phenylquinolin-4-one
CID 59052660
2-cyclohexyl-10-methyl-3-pentylpyrimido[4,5-b]quinoline-4,5-dione
CID 4975526
3-cyclohexyl-4-phenyl-5-phenyl-1,2,4-triazole;iridium
CID 58240240

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione (CID 2034964) is 2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione is O=c1c2ccccc2sc2nc(C3CCCCC3)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is OYIAMYGTDDFOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-20-17-13-7-8-14-18(17)28-22-19(20)23(27)25(16-11-5-2-6-12-16)21(24-22)15-9-3-1-4-10-15/h2,5-8,11-15H,1,3-4,9-10H2.
What are the key properties of 2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione?
2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 388.49 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 2034964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).