N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide

C23H19BrN4O4 — CID 17435455

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide
SMILESNc1c(N(Cc2ccco2)C(=O)c2ccccc2Br)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H19BrN4O4/c24-18-11-5-4-10-17(18)22(30)27(14-16-9-6-12-32-16)19-20(25)28(23(31)26-21(19)29)13-15-7-2-1-3-8-15/h1-12H,13-14,25H2,(H,26,29,31)
InChIKeyLUJVWXAEJJCFHR-UHFFFAOYSA-N
MW495.33 g/mol
LogP3.37
Rot. Bonds6

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide (PubChem CID 17435455) has the molecular formula C23H19BrN4O4 and a molecular weight of 495.33 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide
PubChem CID17435455
Molecular FormulaC23H19BrN4O4
Molecular Weight495.33 g/mol
Exact Mass494.06
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide
SMILESNc1c(N(Cc2ccco2)C(=O)c2ccccc2Br)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H19BrN4O4/c24-18-11-5-4-10-17(18)22(30)27(14-16-9-6-12-32-16)19-20(25)28(23(31)26-21(19)29)13-15-7-2-1-3-8-15/h1-12H,13-14,25H2,(H,26,29,31)
InChIKeyLUJVWXAEJJCFHR-UHFFFAOYSA-N
XLogP3.37
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide 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-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 16549492
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide
CID 16549494
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 26195847
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)acetamide
CID 98494262
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzamide
CID 26195713
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 24983105
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-phenoxybenzamide
CID 26195852
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylfuran-2-carboxamide
CID 18084185
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 4825513
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55336951
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2,5-dimethoxybenzamide
CID 30846713
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)acetamide
CID 30846728

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide (CID 17435455) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide is Nc1c(N(Cc2ccco2)C(=O)c2ccccc2Br)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide?
The InChIKey is LUJVWXAEJJCFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O4/c24-18-11-5-4-10-17(18)22(30)27(14-16-9-6-12-32-16)19-20(25)28(23(31)26-21(19)29)13-15-7-2-1-3-8-15/h1-12H,13-14,25H2,(H,26,29,31).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide has a molecular weight of 495.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 17435455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).