1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione

C15H16N2O2S — CID 56689825

IUPAC1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione
SMILESCn1c(SC/C=C/c2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H16N2O2S/c1-16-13(18)11-14(17(2)15(16)19)20-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+
InChIKeyDTXLMKYATPVTLS-RMKNXTFCSA-N
MW288.37 g/mol
LogP1.89
Rot. Bonds4

About 1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione

1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione (PubChem CID 56689825) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione
PubChem CID56689825
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione
SMILESCn1c(SC/C=C/c2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H16N2O2S/c1-16-13(18)11-14(17(2)15(16)19)20-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+
InChIKeyDTXLMKYATPVTLS-RMKNXTFCSA-N
XLogP1.89
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione (CID 56689825) is 1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione is Cn1c(SC/C=C/c2ccccc2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione?
The InChIKey is DTXLMKYATPVTLS-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-16-13(18)11-14(17(2)15(16)19)20-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+.
What are the key properties of 1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione?
1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione has a molecular weight of 288.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione is sourced from PubChem (CID 56689825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).