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

C19H15F2N3O5 — CID 7137494

IUPACN-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(F)cc3F)c2=O)cc1OC
InChIInChI=1S/C19H15F2N3O5/c1-28-15-6-4-11(8-16(15)29-2)24-18(26)12(9-22-19(24)27)17(25)23-14-5-3-10(20)7-13(14)21/h3-9H,1-2H3,(H,22,27)(H,23,25)
InChIKeyGHQHZDIXSNWOCI-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.07
Rot. Bonds5

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

N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 7137494) has the molecular formula C19H15F2N3O5 and a molecular weight of 403.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID7137494
Molecular FormulaC19H15F2N3O5
Molecular Weight403.34 g/mol
Exact Mass403.10
IUPAC NameN-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(F)cc3F)c2=O)cc1OC
InChIInChI=1S/C19H15F2N3O5/c1-28-15-6-4-11(8-16(15)29-2)24-18(26)12(9-22-19(24)27)17(25)23-14-5-3-10(20)7-13(14)21/h3-9H,1-2H3,(H,22,27)(H,23,25)
InChIKeyGHQHZDIXSNWOCI-UHFFFAOYSA-N
XLogP2.07
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028331
N-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028328
3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 16815268
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 16815260
3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137461
methyl 4-[[3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137421
N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025230
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3408404
N-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137394
3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3627249
N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137439

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 7137494) is N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(F)cc3F)c2=O)cc1OC.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is GHQHZDIXSNWOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O5/c1-28-15-6-4-11(8-16(15)29-2)24-18(26)12(9-22-19(24)27)17(25)23-14-5-3-10(20)7-13(14)21/h3-9H,1-2H3,(H,22,27)(H,23,25).
What are the key properties of N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 403.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 7137494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).