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

C21H21N3O6 — CID 4107920

IUPACN-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(OC)c(OC)c3)c2=O)cc1
InChIInChI=1S/C21H21N3O6/c1-4-30-15-8-6-14(7-9-15)24-20(26)16(12-22-21(24)27)19(25)23-13-5-10-17(28-2)18(11-13)29-3/h5-12H,4H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyYVPBVHDECZEOSQ-UHFFFAOYSA-N
MW411.41 g/mol
LogP2.19
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 4107920) has the molecular formula C21H21N3O6 and a molecular weight of 411.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID4107920
Molecular FormulaC21H21N3O6
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(OC)c(OC)c3)c2=O)cc1
InChIInChI=1S/C21H21N3O6/c1-4-30-15-8-6-14(7-9-15)24-20(26)16(12-22-21(24)27)19(25)23-13-5-10-17(28-2)18(11-13)29-3/h5-12H,4H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyYVPBVHDECZEOSQ-UHFFFAOYSA-N
XLogP2.19
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 4107920) is N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(OC)c(OC)c3)c2=O)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YVPBVHDECZEOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6/c1-4-30-15-8-6-14(7-9-15)24-20(26)16(12-22-21(24)27)19(25)23-13-5-10-17(28-2)18(11-13)29-3/h5-12H,4H2,1-3H3,(H,22,27)(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 4107920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).