2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

C18H20N4OS — CID 6861955

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C18H20N4OS/c1-13(9-16-7-5-4-6-8-16)11-19-22-17(23)12-24-18-20-14(2)10-15(3)21-18/h4-11H,12H2,1-3H3,(H,22,23)/b13-9-,19-11+
InChIKeyXJVDIZQVCKOAJP-FKDPSPLQSA-N
MW340.45 g/mol
LogP3.39
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 6861955) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID6861955
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C18H20N4OS/c1-13(9-16-7-5-4-6-8-16)11-19-22-17(23)12-24-18-20-14(2)10-15(3)21-18/h4-11H,12H2,1-3H3,(H,22,23)/b13-9-,19-11+
InChIKeyXJVDIZQVCKOAJP-FKDPSPLQSA-N
XLogP3.39
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (CID 6861955) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is CC(=C/c1ccccc1)/C=N/NC(=O)CSc1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is XJVDIZQVCKOAJP-FKDPSPLQSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13(9-16-7-5-4-6-8-16)11-19-22-17(23)12-24-18-20-14(2)10-15(3)21-18/h4-11H,12H2,1-3H3,(H,22,23)/b13-9-,19-11+.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 340.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6861955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).