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

C16H18N4O3 — CID 137035193

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1
InChIInChI=1S/C16H18N4O3/c1-10-14(16(22)19-11(2)18-10)8-15(21)20-17-9-12-4-6-13(23-3)7-5-12/h4-7,9H,8H2,1-3H3,(H,20,21)(H,18,19,22)/b17-9+
InChIKeyGXJLYELBVBKGIH-RQZCQDPDSA-N
MW314.35 g/mol
LogP1.09
Rot. Bonds5

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

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 137035193) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
PubChem CID137035193
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1
InChIInChI=1S/C16H18N4O3/c1-10-14(16(22)19-11(2)18-10)8-15(21)20-17-9-12-4-6-13(23-3)7-5-12/h4-7,9H,8H2,1-3H3,(H,20,21)(H,18,19,22)/b17-9+
InChIKeyGXJLYELBVBKGIH-RQZCQDPDSA-N
XLogP1.09
TPSA96.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.09
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

N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
[4-[(Z)-[[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 110526232
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 110526268
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721
ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 21370822
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 6069999

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (CID 137035193) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/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)-(4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is GXJLYELBVBKGIH-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10-14(16(22)19-11(2)18-10)8-15(21)20-17-9-12-4-6-13(23-3)7-5-12/h4-7,9H,8H2,1-3H3,(H,20,21)(H,18,19,22)/b17-9+.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 314.35 g/mol, XLogP of 1.09, 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)-(4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 137035193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).