5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione

C19H17N3O2S — CID 6474745

IUPAC5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione
SMILESCc1c(Sc2ccccc2)n(C/C=C/c2cccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H17N3O2S/c1-14-17(23)21-19(24)22(12-6-8-15-7-5-11-20-13-15)18(14)25-16-9-3-2-4-10-16/h2-11,13H,12H2,1H3,(H,21,23,24)/b8-6+
InChIKeyLPZPIJGAMUQQSS-SOFGYWHQSA-N
MW351.43 g/mol
LogP3.10
Rot. Bonds5

About 5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione

5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione (PubChem CID 6474745) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione
PubChem CID6474745
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione
SMILESCc1c(Sc2ccccc2)n(C/C=C/c2cccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H17N3O2S/c1-14-17(23)21-19(24)22(12-6-8-15-7-5-11-20-13-15)18(14)25-16-9-3-2-4-10-16/h2-11,13H,12H2,1H3,(H,21,23,24)/b8-6+
InChIKeyLPZPIJGAMUQQSS-SOFGYWHQSA-N
XLogP3.10
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione (CID 6474745) is 5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione is Cc1c(Sc2ccccc2)n(C/C=C/c2cccnc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione?
The InChIKey is LPZPIJGAMUQQSS-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-14-17(23)21-19(24)22(12-6-8-15-7-5-11-20-13-15)18(14)25-16-9-3-2-4-10-16/h2-11,13H,12H2,1H3,(H,21,23,24)/b8-6+.
What are the key properties of 5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione?
5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione has a molecular weight of 351.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenylsulfanyl-1-[(E)-3-pyridin-3-ylprop-2-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 6474745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).