2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide

C14H14N4O4 — CID 121064301

IUPAC2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C14H14N4O4/c1-2-10-7-14(20)17(9-15-10)8-13(19)16-11-3-5-12(6-4-11)18(21)22/h3-7,9H,2,8H2,1H3,(H,16,19)
InChIKeyQVMBFQOTGQYKKT-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.35
Rot. Bonds5

About 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide

2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 121064301) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
PubChem CID121064301
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C14H14N4O4/c1-2-10-7-14(20)17(9-15-10)8-13(19)16-11-3-5-12(6-4-11)18(21)22/h3-7,9H,2,8H2,1H3,(H,16,19)
InChIKeyQVMBFQOTGQYKKT-UHFFFAOYSA-N
XLogP1.35
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064337
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421
N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064479
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 121063585
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064355
N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064373
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-cyano-4-nitrophenyl)acetamide
CID 121063612
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121064432
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 121064314
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425
N,N-dimethyl-4-[[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 55308132

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide (CID 121064301) is 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide is CCc1cc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is QVMBFQOTGQYKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-2-10-7-14(20)17(9-15-10)8-13(19)16-11-3-5-12(6-4-11)18(21)22/h3-7,9H,2,8H2,1H3,(H,16,19).
What are the key properties of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide?
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 302.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 121064301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).