[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium

C23H26Cl2N5O3+ — CID 2698609

IUPAC[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
SMILESCCN(C(=O)C[NH+](C)Cc1cccc(Cl)c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H25Cl2N5O3/c1-3-29(18(31)14-28(2)13-16-10-7-11-17(24)19(16)25)20-21(26)30(23(33)27-22(20)32)12-15-8-5-4-6-9-15/h4-11H,3,12-14,26H2,1-2H3,(H,27,32,33)/p+1
InChIKeyLJXHGMRRYGWENJ-UHFFFAOYSA-O
MW491.40 g/mol
LogP1.54
Rot. Bonds8

About [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium

[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium (PubChem CID 2698609) has the molecular formula C23H26Cl2N5O3+ and a molecular weight of 491.40 g/mol. Its IUPAC name is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
PubChem CID2698609
Molecular FormulaC23H26Cl2N5O3+
Molecular Weight491.40 g/mol
Exact Mass490.14
IUPAC Name[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
SMILESCCN(C(=O)C[NH+](C)Cc1cccc(Cl)c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H25Cl2N5O3/c1-3-29(18(31)14-28(2)13-16-10-7-11-17(24)19(16)25)20-21(26)30(23(33)27-22(20)32)12-15-8-5-4-6-9-15/h4-11H,3,12-14,26H2,1-2H3,(H,27,32,33)/p+1
InChIKeyLJXHGMRRYGWENJ-UHFFFAOYSA-O
XLogP1.54
TPSA105.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.40
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium 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)-N-ethyl-2-naphthalen-1-ylacetamide
CID 26175947
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide
CID 43077482
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2,6-dichlorophenyl)acetamide
CID 4816310
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)-2-(2-fluorophenyl)-N-propylacetamide
CID 17390969
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911043
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-chlorophenoxy)-N-propylacetamide
CID 4814880
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-(2-methoxyethyl)propanamide
CID 52895438
2-[4-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 29166370
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-ethylacetamide
CID 16561830
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2089001

Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
The IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium (CID 2698609) is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium is CCN(C(=O)C[NH+](C)Cc1cccc(Cl)c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
The InChIKey is LJXHGMRRYGWENJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25Cl2N5O3/c1-3-29(18(31)14-28(2)13-16-10-7-11-17(24)19(16)25)20-21(26)30(23(33)27-22(20)32)12-15-8-5-4-6-9-15/h4-11H,3,12-14,26H2,1-2H3,(H,27,32,33)/p+1.
What are the key properties of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium has a molecular weight of 491.40 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium is sourced from PubChem (CID 2698609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).