N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide

C17H19N5O5 — CID 23610222

IUPACN-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c(OC)c1
InChIInChI=1S/C17H19N5O5/c1-20-15-14(16(24)21(2)17(20)25)18-9-22(15)8-13(23)19-11-6-5-10(26-3)7-12(11)27-4/h5-7,9H,8H2,1-4H3,(H,19,23)
InChIKeyMFLCPPFCHIKFKG-UHFFFAOYSA-N
MW373.37 g/mol
LogP0.09
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide (PubChem CID 23610222) has the molecular formula C17H19N5O5 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
PubChem CID23610222
Molecular FormulaC17H19N5O5
Molecular Weight373.37 g/mol
Exact Mass373.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c(OC)c1
InChIInChI=1S/C17H19N5O5/c1-20-15-14(16(24)21(2)17(20)25)18-9-22(15)8-13(23)19-11-6-5-10(26-3)7-12(11)27-4/h5-7,9H,8H2,1-4H3,(H,19,23)
InChIKeyMFLCPPFCHIKFKG-UHFFFAOYSA-N
XLogP0.09
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(8-methoxyquinolin-5-yl)acetamide
CID 23610230
N-(2,4-dimethoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502390
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 135615224
N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090783
N-(2,4-dimethoxyphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591689
N-(2,4-dimethoxyphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53027824
N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 135934039
N-(2,4-dimethoxyphenyl)-2-(5-oxo-2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide
CID 50826202
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 3636120
N-(2,5-dimethoxyphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064295
N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
CID 2149356
2-[5-(4-chlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 40824781

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide (CID 23610222) is N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide is COc1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide?
The InChIKey is MFLCPPFCHIKFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O5/c1-20-15-14(16(24)21(2)17(20)25)18-9-22(15)8-13(23)19-11-6-5-10(26-3)7-12(11)27-4/h5-7,9H,8H2,1-4H3,(H,19,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide has a molecular weight of 373.37 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide is sourced from PubChem (CID 23610222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).