2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide

C15H16N4O3S — CID 135538144

IUPAC2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1nc(SCC(=O)NN=Cc2ccccc2O)[nH]c(=O)c1C
InChIInChI=1S/C15H16N4O3S/c1-9-10(2)17-15(18-14(9)22)23-8-13(21)19-16-7-11-5-3-4-6-12(11)20/h3-7,20H,8H2,1-2H3,(H,19,21)(H,17,18,22)
InChIKeyDIMXGPPTCLBXBW-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.33
Rot. Bonds5

About 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide

2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135538144) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135538144
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1nc(SCC(=O)NN=Cc2ccccc2O)[nH]c(=O)c1C
InChIInChI=1S/C15H16N4O3S/c1-9-10(2)17-15(18-14(9)22)23-8-13(21)19-16-7-11-5-3-4-6-12(11)20/h3-7,20H,8H2,1-2H3,(H,19,21)(H,17,18,22)
InChIKeyDIMXGPPTCLBXBW-UHFFFAOYSA-N
XLogP1.33
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-benzylideneamino]-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 136632205
2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 135445799
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 135716269
N-(benzylideneamino)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135439186
N-[(2-chlorophenyl)methyl]-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135561888
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 110338201
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 696957
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide
CID 1202097
2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135716635
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1365966
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
N-(3-chloro-4-methylphenyl)-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135561880

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide (CID 135538144) is 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide is Cc1nc(SCC(=O)NN=Cc2ccccc2O)[nH]c(=O)c1C.
What is the InChIKey of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is DIMXGPPTCLBXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-9-10(2)17-15(18-14(9)22)23-8-13(21)19-16-7-11-5-3-4-6-12(11)20/h3-7,20H,8H2,1-2H3,(H,19,21)(H,17,18,22).
What are the key properties of 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 332.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135538144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).