2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate

C14H22N8O4 — CID 122218600

IUPAC2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate
SMILES[N-]=[N+]=NCCOC(=O)NCCCCCCNC(=O)Nc1nccc(=O)[nH]1
InChIInChI=1S/C14H22N8O4/c15-22-19-9-10-26-14(25)18-7-4-2-1-3-6-17-13(24)21-12-16-8-5-11(23)20-12/h5,8H,1-4,6-7,9-10H2,(H,18,25)(H3,16,17,20,21,23,24)
InChIKeyXSKCVYKACLBSON-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.49
Rot. Bonds11

About 2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate

2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate (PubChem CID 122218600) has the molecular formula C14H22N8O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate.

Molecular Properties

Compound Name2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate
PubChem CID122218600
Molecular FormulaC14H22N8O4
Molecular Weight366.38 g/mol
Exact Mass366.18
IUPAC Name2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate
SMILES[N-]=[N+]=NCCOC(=O)NCCCCCCNC(=O)Nc1nccc(=O)[nH]1
InChIInChI=1S/C14H22N8O4/c15-22-19-9-10-26-14(25)18-7-4-2-1-3-6-17-13(24)21-12-16-8-5-11(23)20-12/h5,8H,1-4,6-7,9-10H2,(H,18,25)(H3,16,17,20,21,23,24)
InChIKeyXSKCVYKACLBSON-UHFFFAOYSA-N
XLogP1.49
TPSA173.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate 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

1-octyl-3-(6-oxo-1H-pyrimidin-2-yl)urea
CID 91118207
1-pentyl-3-(6-sulfonyl-1H-pyrimidin-2-yl)urea
CID 88616556
[1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate
CID 122607485
2-azidoethyl N-[(5S)-5-acetamido-6-oxoheptyl]carbamate
CID 167653306
[(6E)-6-ethylidene-7,8,8-trimethyl-11-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexylcarbamoyloxy]undecyl] N-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate
CID 147806817
(2S)-2-amino-6-(2-azidoethoxycarbonylamino)hexanoic acid;2,2,2-trifluoroacetic acid
CID 131740374
2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide
CID 175505955
1-(4-azidobutyl)-3-(3-fluorophenyl)urea
CID 106386930
2-azidoethyl N-[3-(2-azidoethoxycarbonylamino)-4-methylphenyl]carbamate
CID 90222016
2,6-bis(3-azidopropoxycarbonylamino)hexanoic acid
CID 90390462
tert-butyl N-(9-azidononyl)carbamate
CID 138393789
2-azidoethyl N-(3-fluorophenyl)carbamate
CID 59667440

Frequently Asked Questions

What is the IUPAC name of 2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate?
The IUPAC name of 2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate (CID 122218600) is 2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate.
What is the SMILES notation for 2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate?
The canonical SMILES for 2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate is [N-]=[N+]=NCCOC(=O)NCCCCCCNC(=O)Nc1nccc(=O)[nH]1.
What is the InChIKey of 2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate?
The InChIKey is XSKCVYKACLBSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8O4/c15-22-19-9-10-26-14(25)18-7-4-2-1-3-6-17-13(24)21-12-16-8-5-11(23)20-12/h5,8H,1-4,6-7,9-10H2,(H,18,25)(H3,16,17,20,21,23,24).
What are the key properties of 2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate?
2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate has a molecular weight of 366.38 g/mol, XLogP of 1.49, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidoethyl N-[6-[(6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamate is sourced from PubChem (CID 122218600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).