N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide

C24H27N5O6 — CID 4848331

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide
SMILESCCN(C(=O)CON=Cc1ccc(OC)cc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H27N5O6/c1-4-28(20(30)15-35-26-13-17-10-11-18(33-2)12-19(17)34-3)21-22(25)29(24(32)27-23(21)31)14-16-8-6-5-7-9-16/h5-13H,4,14-15,25H2,1-3H3,(H,27,31,32)
InChIKeyVZXGLUNPCXMDDW-UHFFFAOYSA-N
MW481.51 g/mol
LogP1.59
Rot. Bonds10

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide (PubChem CID 4848331) has the molecular formula C24H27N5O6 and a molecular weight of 481.51 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide
PubChem CID4848331
Molecular FormulaC24H27N5O6
Molecular Weight481.51 g/mol
Exact Mass481.20
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide
SMILESCCN(C(=O)CON=Cc1ccc(OC)cc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H27N5O6/c1-4-28(20(30)15-35-26-13-17-10-11-18(33-2)12-19(17)34-3)21-22(25)29(24(32)27-23(21)31)14-16-8-6-5-7-9-16/h5-13H,4,14-15,25H2,1-3H3,(H,27,31,32)
InChIKeyVZXGLUNPCXMDDW-UHFFFAOYSA-N
XLogP1.59
TPSA141.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 8801145
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 8801097
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide
CID 8801143
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] (E)-pent-2-enoate
CID 8673417
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 16597002
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenoxy)-N-methylacetamide
CID 8801057
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 25162787
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-methoxy-N-propylbenzamide
CID 8800330
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 25162119
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide
CID 8801016
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3,5-dimethoxybenzamide
CID 2644398
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenoxybenzamide
CID 26175958

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide (CID 4848331) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide is CCN(C(=O)CON=Cc1ccc(OC)cc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide?
The InChIKey is VZXGLUNPCXMDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O6/c1-4-28(20(30)15-35-26-13-17-10-11-18(33-2)12-19(17)34-3)21-22(25)29(24(32)27-23(21)31)14-16-8-6-5-7-9-16/h5-13H,4,14-15,25H2,1-3H3,(H,27,31,32).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide has a molecular weight of 481.51 g/mol, XLogP of 1.59, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,4-dimethoxyphenyl)methylideneamino]oxy-N-ethylacetamide is sourced from PubChem (CID 4848331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).