1-(4-Hydroxy-3-(hydroxymethyl)-1-butyl)-5-(1-azido-2-chloroethyl)uracil

HCID 490387

Notes Reactions

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Basic information

Standard SMILES: [N-]=[N+]=NC(CCl)c1cn(CCC(CO)CO)c(=O)[nH]c1=O
InChIKey: NMHIHYDZSKBGJH-UHFFFAOYSA-N
Molecular formula: C11H16ClN5O4
Average molar mass: 317.73 g/mol

Overview

structure in first source

Names & identifiers

Preferred name: 1-(4-Hydroxy-3-(hydroxymethyl)-1-butyl)-5-(1-azido-2-chloroethyl)uracil
IUPAC: 5-(1-azido-2-chloroethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione

Names & synonyms

1-(4-hydroxy-3-(hydroxymethyl)-1-butyl)-5-(1-azido-2-chloroethyl)uracil1-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-5-(1-azido-2-chloroethyl)uracilRefChem:9073661-HHMBu-5-N3CEUCHEMBL133034NMHIHYDZSKBGJH-UHFFFAOYSA-N1-[3,3-Bis(hydroxymethyl)propyl]-5-(1-azido-2-chloroethyl)uracil5-(1-azido-2-chloroethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione1-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-5-(1-azido-2chloroethyl)uracil5-(1-azido-2-chloro-ethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione5-(1-Azido-2-chloroethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]-2,4(1H,3H)-pyrimidinedione

Database identifiers

PubChem CID: 490387
ChEMBL: CHEMBL133034
Nikkaji: J1.660.904H

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 104 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 473

Related reactions

3 records

New reaction record

HRID 732924As productuspto-grants-2009_09

HRID 1516773As productuspto-grants-2012_07

HRID 2150021As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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