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

C20H19N3O5 — CID 3408404

IUPAC3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3OC)c2=O)cc1
InChIInChI=1S/C20H19N3O5/c1-3-28-14-10-8-13(9-11-14)23-19(25)15(12-21-20(23)26)18(24)22-16-6-4-5-7-17(16)27-2/h4-12H,3H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyRYAXTECFLHKHFI-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.19
Rot. Bonds6

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

3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 3408404) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID3408404
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3OC)c2=O)cc1
InChIInChI=1S/C20H19N3O5/c1-3-28-14-10-8-13(9-11-14)23-19(25)15(12-21-20(23)26)18(24)22-16-6-4-5-7-17(16)27-2/h4-12H,3H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyRYAXTECFLHKHFI-UHFFFAOYSA-N
XLogP2.19
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3404438
N-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4107917
3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3627249
N-(2,6-dimethylphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137313
N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4108044
5-acetyl-3-(4-ethoxyphenyl)-1H-pyrimidine-2,4-dione
CID 51056920
N-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028328
3-(4-ethoxyphenyl)-N-(3-nitrophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137314
N-(2-methoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026398
N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137494
N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028331
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 3408404) is 3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3OC)c2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RYAXTECFLHKHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-3-28-14-10-8-13(9-11-14)23-19(25)15(12-21-20(23)26)18(24)22-16-6-4-5-7-17(16)27-2/h4-12H,3H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of 3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3408404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).