N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide

C25H25N5O5 — CID 16549449

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H25N5O5/c1-2-14-28(24(34)17-8-10-18(11-9-17)30-19(31)12-13-20(30)32)21-22(26)29(25(35)27-23(21)33)15-16-6-4-3-5-7-16/h3-11H,2,12-15,26H2,1H3,(H,27,33,35)
InChIKeyQJPLFMWYLYQFJB-UHFFFAOYSA-N
MW475.51 g/mol
LogP1.88
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide (PubChem CID 16549449) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide
PubChem CID16549449
Molecular FormulaC25H25N5O5
Molecular Weight475.51 g/mol
Exact Mass475.19
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H25N5O5/c1-2-14-28(24(34)17-8-10-18(11-9-17)30-19(31)12-13-20(30)32)21-22(26)29(25(35)27-23(21)33)15-16-6-4-3-5-7-16/h3-11H,2,12-15,26H2,1H3,(H,27,33,35)
InChIKeyQJPLFMWYLYQFJB-UHFFFAOYSA-N
XLogP1.88
TPSA138.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-methoxy-N-propylbenzamide
CID 8800330
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-4-(trifluoromethyl)benzamide
CID 4790575
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethylbenzamide
CID 4816306
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethyl-N-propylbutanamide
CID 9464677
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenoxybenzamide
CID 26175958
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenyl)-N-propylacetamide
CID 17390969
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-chlorobenzamide
CID 4791007
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-N-methylbenzamide
CID 7998139
1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-[3-(dimethylamino)propyl]-1-propylthiourea
CID 9093509
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethylsulfanyl)-N-(3-methylbutyl)benzamide
CID 24617274
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-chlorophenoxy)-N-propylacetamide
CID 4814880
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide (CID 16549449) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide is CCCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide?
The InChIKey is QJPLFMWYLYQFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5/c1-2-14-28(24(34)17-8-10-18(11-9-17)30-19(31)12-13-20(30)32)21-22(26)29(25(35)27-23(21)33)15-16-6-4-3-5-7-16/h3-11H,2,12-15,26H2,1H3,(H,27,33,35).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide has a molecular weight of 475.51 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide is sourced from PubChem (CID 16549449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).