4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one

C22H18N2OS — CID 624671

IUPAC4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(Sc2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C22H18N2OS/c25-22-23-19(16-10-4-1-5-11-16)21(26-18-14-8-3-9-15-18)20(24-22)17-12-6-2-7-13-17/h1-15,19H,(H2,23,24,25)
InChIKeyOZNRCGLMIRBDNH-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.20
Rot. Bonds4

About 4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one

4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 624671) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID624671
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(Sc2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C22H18N2OS/c25-22-23-19(16-10-4-1-5-11-16)21(26-18-14-8-3-9-15-18)20(24-22)17-12-6-2-7-13-17/h1-15,19H,(H2,23,24,25)
InChIKeyOZNRCGLMIRBDNH-UHFFFAOYSA-N
XLogP5.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one (CID 624671) is 4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccccc2)=C(Sc2ccccc2)C(c2ccccc2)N1.
What is the InChIKey of 4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is OZNRCGLMIRBDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c25-22-23-19(16-10-4-1-5-11-16)21(26-18-14-8-3-9-15-18)20(24-22)17-12-6-2-7-13-17/h1-15,19H,(H2,23,24,25).
What are the key properties of 4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one?
4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 358.47 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-5-phenylsulfanyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 624671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).