6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione

C20H19N5O6 — CID 55412268

IUPAC6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H19N5O6/c1-2-23-19(28)17(15(26)12-22-11-14(25(30)31)8-9-16(22)27)18(21)24(20(23)29)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12,21H2,1H3
InChIKeyNRIVXHSDJKDXEP-UHFFFAOYSA-N
MW425.40 g/mol
LogP0.61
Rot. Bonds7

About 6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione

6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione (PubChem CID 55412268) has the molecular formula C20H19N5O6 and a molecular weight of 425.40 g/mol. Its IUPAC name is 6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione
PubChem CID55412268
Molecular FormulaC20H19N5O6
Molecular Weight425.40 g/mol
Exact Mass425.13
IUPAC Name6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H19N5O6/c1-2-23-19(28)17(15(26)12-22-11-14(25(30)31)8-9-16(22)27)18(21)24(20(23)29)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12,21H2,1H3
InChIKeyNRIVXHSDJKDXEP-UHFFFAOYSA-N
XLogP0.61
TPSA152.23 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-5-nitro-6-oxopyridine-3-carboxylate
CID 55667680
6-amino-1-benzyl-5-[2-(4-benzylpiperazin-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione
CID 2091532
6-amino-1-benzyl-3-ethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2685172
6-amino-1-benzyl-5-(2-benzylsulfanylacetyl)-3-ethylpyrimidine-2,4-dione
CID 8549023
1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]-5-nitropyridin-2-one
CID 7681379
6-amino-1-benzyl-5-[2-(benzylamino)acetyl]-3-ethylpyrimidine-2,4-dione
CID 169167925
6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione
CID 2086357
6-amino-1-benzyl-3-ethyl-5-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]pyrimidine-2,4-dione
CID 16797105
6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 2105210
6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide
CID 169167959
[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 2684384
7-[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione
CID 30301392

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione (CID 55412268) is 6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione is CCn1c(=O)c(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione?
The InChIKey is NRIVXHSDJKDXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O6/c1-2-23-19(28)17(15(26)12-22-11-14(25(30)31)8-9-16(22)27)18(21)24(20(23)29)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12,21H2,1H3.
What are the key properties of 6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione?
6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione has a molecular weight of 425.40 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-3-ethyl-5-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 55412268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).