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

C17H20N4O3 — CID 135668208

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(C(C)=NNC(=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)
InChIKeyYNEKFBQQWBINPF-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.48
Rot. Bonds5

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

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide (PubChem CID 135668208) 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-[1-(4-methoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
PubChem CID135668208
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(C(C)=NNC(=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)
InChIKeyYNEKFBQQWBINPF-UHFFFAOYSA-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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Related Compounds

5-ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 971409
2-(4-methoxybenzyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879313
6-butyl-3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457434
6-ethyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 977455
3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 3157234
2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135519884
3-(4-methoxyphenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 867736
5-isopropyl-2-(4-methoxybenzyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1369283
6-benzyl-3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 2208092
6-ethyl-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 3238840
3-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
CID 6456513
N'-(4-hydroxybenzylidene)-2-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)acetohydrazide
CID 135470924

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide (CID 135668208) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide is COc1ccc(C(C)=NNC(=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-[1-(4-methoxyphenyl)ethylideneamino]acetamide?
The InChIKey is YNEKFBQQWBINPF-UHFFFAOYSA-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).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[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-[1-(4-methoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135668208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).