2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide

C8H11N5O4 — CID 114162578

IUPAC2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C8H11N5O4/c9-7(14)5-17-2-1-10-8-11-3-6(4-12-8)13(15)16/h3-4H,1-2,5H2,(H2,9,14)(H,10,11,12)
InChIKeyHUZNDVWDEDLELP-UHFFFAOYSA-N
MW241.21 g/mol
LogP-0.70
Rot. Bonds7

About 2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide

2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide (PubChem CID 114162578) has the molecular formula C8H11N5O4 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide
PubChem CID114162578
Molecular FormulaC8H11N5O4
Molecular Weight241.21 g/mol
Exact Mass241.08
IUPAC Name2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C8H11N5O4/c9-7(14)5-17-2-1-10-8-11-3-6(4-12-8)13(15)16/h3-4H,1-2,5H2,(H2,9,14)(H,10,11,12)
InChIKeyHUZNDVWDEDLELP-UHFFFAOYSA-N
XLogP-0.70
TPSA133.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]ethanol
CID 62498634
N-(2-butoxyethyl)-5-nitropyrimidin-2-amine
CID 61169725
N-[3-(2-methoxyethoxy)propyl]-5-nitropyrimidin-2-amine
CID 113434393
N-[2-(4-aminophenoxy)ethyl]-5-nitropyrimidin-2-amine
CID 63238244
2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide
CID 106241889
2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239517
2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide
CID 106239190
ethyl 4-[(5-nitropyrimidin-2-yl)amino]butanoate
CID 64578558
2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide
CID 106170845
tert-butyl N-[2-[(5-nitropyrimidin-2-yl)amino]ethyl]carbamate
CID 104626018
2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide
CID 106238226
2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide
CID 106239305

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide (CID 114162578) is 2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide is NC(=O)COCCNc1ncc([N+](=O)[O-])cn1.
What is the InChIKey of 2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide?
The InChIKey is HUZNDVWDEDLELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O4/c9-7(14)5-17-2-1-10-8-11-3-6(4-12-8)13(15)16/h3-4H,1-2,5H2,(H2,9,14)(H,10,11,12).
What are the key properties of 2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide?
2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide has a molecular weight of 241.21 g/mol, XLogP of -0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 114162578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).