2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide

C17H20N4O3 — CID 135517025

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1
InChIInChI=1S/C17H20N4O3/c1-10(13-5-7-14(24-4)8-6-13)20-21-16(22)9-15-11(2)18-12(3)19-17(15)23/h5-8H,9H2,1-4H3,(H,21,22)(H,18,19,23)/b20-10+
InChIKeyYNEKFBQQWBINPF-KEBDBYFISA-N
MW328.37 g/mol
LogP1.48
Rot. Bonds5

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide (PubChem CID 135517025) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
PubChem CID135517025
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1
InChIInChI=1S/C17H20N4O3/c1-10(13-5-7-14(24-4)8-6-13)20-21-16(22)9-15-11(2)18-12(3)19-17(15)23/h5-8H,9H2,1-4H3,(H,21,22)(H,18,19,23)/b20-10+
InChIKeyYNEKFBQQWBINPF-KEBDBYFISA-N
XLogP1.48
TPSA96.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
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-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide (CID 135517025) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide is COc1ccc(/C(C)=N/NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide?
The InChIKey is YNEKFBQQWBINPF-KEBDBYFISA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10(13-5-7-14(24-4)8-6-13)20-21-16(22)9-15-11(2)18-12(3)19-17(15)23/h5-8H,9H2,1-4H3,(H,21,22)(H,18,19,23)/b20-10+.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide has a molecular weight of 328.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135517025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).