2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide

C19H24N4OS — CID 42996066

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide
SMILESCc1cc(C)nc(SCC(=O)N/N=C(\CC(C)C)c2ccccc2)n1
InChIInChI=1S/C19H24N4OS/c1-13(2)10-17(16-8-6-5-7-9-16)22-23-18(24)12-25-19-20-14(3)11-15(4)21-19/h5-9,11,13H,10,12H2,1-4H3,(H,23,24)/b22-17+
InChIKeyLMYDEZBMHRHAPE-OQKWZONESA-N
MW356.50 g/mol
LogP3.75
Rot. Bonds7

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide (PubChem CID 42996066) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide
PubChem CID42996066
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide
SMILESCc1cc(C)nc(SCC(=O)N/N=C(\CC(C)C)c2ccccc2)n1
InChIInChI=1S/C19H24N4OS/c1-13(2)10-17(16-8-6-5-7-9-16)22-23-18(24)12-25-19-20-14(3)11-15(4)21-19/h5-9,11,13H,10,12H2,1-4H3,(H,23,24)/b22-17+
InChIKeyLMYDEZBMHRHAPE-OQKWZONESA-N
XLogP3.75
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.75
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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Related Compounds

[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylethylidene]amino]urea
CID 912143
[(E)-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylethylidene]amino]thiourea
CID 6340889
N-[(E)-benzylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866423
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135922797
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide
CID 5143466
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide
CID 42996039
(2S)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-phenylacetic acid
CID 94218923
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 47095842
3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide
CID 5191997
N-[(3-methyl-1-phenylbutylidene)amino]-2-naphthalen-2-yloxyacetamide
CID 4605670
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 16560439

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide (CID 42996066) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide is Cc1cc(C)nc(SCC(=O)N/N=C(\CC(C)C)c2ccccc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide?
The InChIKey is LMYDEZBMHRHAPE-OQKWZONESA-N. The full InChI is InChI=1S/C19H24N4OS/c1-13(2)10-17(16-8-6-5-7-9-16)22-23-18(24)12-25-19-20-14(3)11-15(4)21-19/h5-9,11,13H,10,12H2,1-4H3,(H,23,24)/b22-17+.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide has a molecular weight of 356.50 g/mol, XLogP of 3.75, 7 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)-(3-methyl-1-phenylbutylidene)amino]acetamide is sourced from PubChem (CID 42996066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).