4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione

C16H12N2S2 — CID 12830733

IUPAC4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione
SMILESS=C1N=C(c2ccccc2)C(=S)C(c2ccccc2)N1
InChIInChI=1S/C16H12N2S2/c19-15-13(11-7-3-1-4-8-11)17-16(20)18-14(15)12-9-5-2-6-10-12/h1-10,13H,(H,17,20)
InChIKeyUUOJBJFKBBBKKH-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.47
Rot. Bonds2

About 4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione

4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione (PubChem CID 12830733) has the molecular formula C16H12N2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione.

Molecular Properties

Compound Name4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione
PubChem CID12830733
Molecular FormulaC16H12N2S2
Molecular Weight296.42 g/mol
Exact Mass296.04
IUPAC Name4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione
SMILESS=C1N=C(c2ccccc2)C(=S)C(c2ccccc2)N1
InChIInChI=1S/C16H12N2S2/c19-15-13(11-7-3-1-4-8-11)17-16(20)18-14(15)12-9-5-2-6-10-12/h1-10,13H,(H,17,20)
InChIKeyUUOJBJFKBBBKKH-UHFFFAOYSA-N
XLogP3.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione
CID 45056811
4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione
CID 12830729
4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione
CID 140604946
4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione
CID 25220246
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
4-anilino-5-(3-methylphenyl)-1,5-dihydroimidazole-2-thione
CID 140604940
4-phenyl-2-sulfanylidene-3,4,4a,6,7,8-hexahydroquinazolin-5-one
CID 91930524
(5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione
CID 177499622
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632
3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one
CID 88502336
3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one
CID 15206016

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione?
The IUPAC name of 4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione (CID 12830733) is 4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione.
What is the SMILES notation for 4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione?
The canonical SMILES for 4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione is S=C1N=C(c2ccccc2)C(=S)C(c2ccccc2)N1.
What is the InChIKey of 4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione?
The InChIKey is UUOJBJFKBBBKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S2/c19-15-13(11-7-3-1-4-8-11)17-16(20)18-14(15)12-9-5-2-6-10-12/h1-10,13H,(H,17,20).
What are the key properties of 4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione?
4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione has a molecular weight of 296.42 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione is sourced from PubChem (CID 12830733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).