5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione

C21H20N2O2S — CID 6474742

IUPAC5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione
SMILESCCc1c(Sc2ccccc2)n(C/C=C/c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H20N2O2S/c1-2-18-19(24)22-21(25)23(15-9-12-16-10-5-3-6-11-16)20(18)26-17-13-7-4-8-14-17/h3-14H,2,15H2,1H3,(H,22,24,25)/b12-9+
InChIKeyGLORUOWXGIWBIU-FMIVXFBMSA-N
MW364.47 g/mol
LogP3.96
Rot. Bonds6

About 5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione

5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione (PubChem CID 6474742) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione
PubChem CID6474742
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione
SMILESCCc1c(Sc2ccccc2)n(C/C=C/c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H20N2O2S/c1-2-18-19(24)22-21(25)23(15-9-12-16-10-5-3-6-11-16)20(18)26-17-13-7-4-8-14-17/h3-14H,2,15H2,1H3,(H,22,24,25)/b12-9+
InChIKeyGLORUOWXGIWBIU-FMIVXFBMSA-N
XLogP3.96
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione (CID 6474742) is 5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione is CCc1c(Sc2ccccc2)n(C/C=C/c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione?
The InChIKey is GLORUOWXGIWBIU-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-2-18-19(24)22-21(25)23(15-9-12-16-10-5-3-6-11-16)20(18)26-17-13-7-4-8-14-17/h3-14H,2,15H2,1H3,(H,22,24,25)/b12-9+.
What are the key properties of 5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione?
5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione has a molecular weight of 364.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(E)-3-phenylprop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione is sourced from PubChem (CID 6474742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).