5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one

C14H10N2O2S — CID 2305660

IUPAC5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one
SMILESCc1cc(-c2ccccc2)oc2nc(=S)[nH]c(=O)c1-2
InChIInChI=1S/C14H10N2O2S/c1-8-7-10(9-5-3-2-4-6-9)18-13-11(8)12(17)15-14(19)16-13/h2-7H,1H3,(H,15,17,19)
InChIKeyJFTZHVGOELOFCO-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.17
Rot. Bonds1

About 5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one

5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one (PubChem CID 2305660) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one
PubChem CID2305660
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one
SMILESCc1cc(-c2ccccc2)oc2nc(=S)[nH]c(=O)c1-2
InChIInChI=1S/C14H10N2O2S/c1-8-7-10(9-5-3-2-4-6-9)18-13-11(8)12(17)15-14(19)16-13/h2-7H,1H3,(H,15,17,19)
InChIKeyJFTZHVGOELOFCO-UHFFFAOYSA-N
XLogP3.17
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-7-phenyl-2-sulfanylidenepyrano[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

4-methyl-3,6-diphenyl-1H-pyridin-2-one
CID 621416
6-methyl-3-phenyl-7H-pyrano[3,4-c]pyridine-1,8-dione
CID 24773442
2-methyl-4,5-diphenyl-1H-pyrimidin-6-one
CID 162219901
5-(2,6-dimethyl-4-phenylphenyl)-2-phenyl-1,3-oxazole
CID 140714662
4,6-dimethyl-3-[5-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenyl-1,3-oxazol-4-yl]-1H-pyridin-2-one
CID 57331391
2-(N-methylanilino)-6-phenyl-1,3-oxazin-4-one
CID 13299099
3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one
CID 12720076
6-methyl-2-phenylfuro[2,3-b]pyran-4-one
CID 101041233
3-methyl-2-pentyl-5-phenylfuran
CID 10823258
1-methyl-7-phenylfuro[3,2-g]pteridine-2,4-dione
CID 162395729
2-methoxy-6-phenylpyran-4-one
CID 568371
5-methyl-2-phenylfuro[3,2-b]pyridine
CID 19023700

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one (CID 2305660) is 5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one is Cc1cc(-c2ccccc2)oc2nc(=S)[nH]c(=O)c1-2.
What is the InChIKey of 5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one?
The InChIKey is JFTZHVGOELOFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c1-8-7-10(9-5-3-2-4-6-9)18-13-11(8)12(17)15-14(19)16-13/h2-7H,1H3,(H,15,17,19).
What are the key properties of 5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one?
5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one has a molecular weight of 270.31 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2305660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).