7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione

C18H12N2O2S — CID 12886733

IUPAC7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc2sc3nc(=O)n(-c4ccccc4)c(=O)c-3cc2c1
InChIInChI=1S/C18H12N2O2S/c1-11-7-8-15-12(9-11)10-14-16(23-15)19-18(22)20(17(14)21)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyPLJATGHHIGEPGV-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.22
Rot. Bonds1

About 7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione

7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 12886733) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID12886733
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc2sc3nc(=O)n(-c4ccccc4)c(=O)c-3cc2c1
InChIInChI=1S/C18H12N2O2S/c1-11-7-8-15-12(9-11)10-14-16(23-15)19-18(22)20(17(14)21)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyPLJATGHHIGEPGV-UHFFFAOYSA-N
XLogP3.22
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.22
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

10-ethyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione
CID 12786949
7-chloro-3-methylthiochromeno[2,3-d]pyrimidine-2,4-dione
CID 12886727
2-tert-butyl-6-phenyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 21417190
3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
CID 43305013
5-methyl-2-phenyl-1,2-benzothiazol-3-one
CID 22416232
6-methyl-1-phenyl-3-(2-phenylpropan-2-yl)quinazoline-2,4-dione
CID 123695795
5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate
CID 20614837
2-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621
14-methyl-2-phenyl-2,4,6,18-tetrazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),3,8,11,13,15,17-heptaene-5,7-dione
CID 56726645
4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one
CID 13298031
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
5-methyl-1,2-diphenylbenzimidazole
CID 45104351

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione (CID 12886733) is 7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione is Cc1ccc2sc3nc(=O)n(-c4ccccc4)c(=O)c-3cc2c1.
What is the InChIKey of 7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PLJATGHHIGEPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c1-11-7-8-15-12(9-11)10-14-16(23-15)19-18(22)20(17(14)21)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione?
7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 320.37 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 12886733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).