(4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one

C17H12N2OS — CID 736751

IUPAC(4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
SMILESO=C1C2=C(NC(=S)N[C@@H]2c2ccccc2)c2ccccc21
InChIInChI=1S/C17H12N2OS/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,14H,(H2,18,19,21)/t14-/m1/s1
InChIKeyBGQSZBPWPOXQTF-CQSZACIVSA-N
MW292.36 g/mol
LogP2.81
Rot. Bonds1

About (4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one

(4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one (PubChem CID 736751) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is (4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name(4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
PubChem CID736751
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name(4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
SMILESO=C1C2=C(NC(=S)N[C@@H]2c2ccccc2)c2ccccc21
InChIInChI=1S/C17H12N2OS/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,14H,(H2,18,19,21)/t14-/m1/s1
InChIKeyBGQSZBPWPOXQTF-CQSZACIVSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione
CID 3237127
4-(3-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
CID 44540150
4-(3-bromophenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
CID 44540237
4-phenyl-2-thioxo-1,2,3,4-tetrahydro-5H-indeno[1,2-d]pyrimidin-5-one
CID 2817305
4-(4-heptylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5H-indeno[1,2-d]pyrimidin-5-one
CID 3767821
3-ethyl-4-(2-fluorophenyl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione
CID 4555441
2-thioxo-4-(o-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one
CID 4589025
2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone
CID 1265732
(4S)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
CID 736750
4-(2-fluorophenyl)-2-thioxo-1,2,3,4-tetrahydro-5H-indeno[1,2-d]pyrimidin-5-one
CID 3488616
4-(4-methylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5H-indeno[1,2-d]pyrimidin-5-one
CID 2817306
4-Methyl-5-benzoyl-6-phenyl-3,6-dihydropyrimidine-2(1H)-thione
CID 5147839

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of (4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one (CID 736751) is (4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for (4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for (4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one is O=C1C2=C(NC(=S)N[C@@H]2c2ccccc2)c2ccccc21.
What is the InChIKey of (4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?
The InChIKey is BGQSZBPWPOXQTF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H12N2OS/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,14H,(H2,18,19,21)/t14-/m1/s1.
What are the key properties of (4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one?
(4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one has a molecular weight of 292.36 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 736751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).