3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C21H21N3O4 — CID 3627249

IUPAC3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1c[nH]c(=O)n(-c2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C21H21N3O4/c1-4-28-18-8-6-5-7-17(18)23-19(25)16-12-22-21(27)24(20(16)26)15-10-9-13(2)14(3)11-15/h5-12H,4H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyYJVLUQKUDBHKSQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.79
Rot. Bonds5

About 3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 3627249) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID3627249
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1c[nH]c(=O)n(-c2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C21H21N3O4/c1-4-28-18-8-6-5-7-17(18)23-19(25)16-12-22-21(27)24(20(16)26)15-10-9-13(2)14(3)11-15/h5-12H,4H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyYJVLUQKUDBHKSQ-UHFFFAOYSA-N
XLogP2.79
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3404438
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3408404
N-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4107917
N-(2,6-dimethylphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137313
N-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028328
N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4108044
N-(2-ethoxyphenyl)-2-iodobenzamide
CID 996130
N-(2-methoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026398
N-(2-ethoxyphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206274
5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
CID 80642770
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 3627249) is 3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CCOc1ccccc1NC(=O)c1c[nH]c(=O)n(-c2ccc(C)c(C)c2)c1=O.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YJVLUQKUDBHKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-4-28-18-8-6-5-7-17(18)23-19(25)16-12-22-21(27)24(20(16)26)15-10-9-13(2)14(3)11-15/h5-12H,4H2,1-3H3,(H,22,27)(H,23,25).
What are the key properties of 3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3627249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).