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

C16H18N4O3 — CID 135408003

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=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)
InChIKeyGXJLYELBVBKGIH-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.09
Rot. Bonds5

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

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135408003) 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-[(4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-methoxyphenyl)methylideneamino]acetamide
PubChem CID135408003
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=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)
InChIKeyGXJLYELBVBKGIH-UHFFFAOYSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-methoxyphenyl)methylideneamino]acetamide (CID 135408003) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(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-[(4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is GXJLYELBVBKGIH-UHFFFAOYSA-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).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-methoxyphenyl)methylideneamino]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(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-[(4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135408003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).