2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide

C8H13N5O3 — CID 136805707

IUPAC2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H13N5O3/c9-5(14)3-16-2-1-11-7-6(10)8(15)13-4-12-7/h4H,1-3,10H2,(H2,9,14)(H2,11,12,13,15)
InChIKeyLACWHYLSVOZRNQ-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.73
Rot. Bonds6

About 2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide

2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 136805707) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID136805707
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H13N5O3/c9-5(14)3-16-2-1-11-7-6(10)8(15)13-4-12-7/h4H,1-3,10H2,(H2,9,14)(H2,11,12,13,15)
InChIKeyLACWHYLSVOZRNQ-UHFFFAOYSA-N
XLogP-1.73
TPSA136.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896830
5-amino-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 137016443
5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 135568296
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311
5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 135575674
5-amino-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 135575724
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729
5-amino-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135786490
5-Amino-6-((2-hydroxyethyl)amino)pyrimidin-4(3H)-one
CID 136271508
5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706918
2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136713550
5-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136713917

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide (CID 136805707) is 2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide is NC(=O)COCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is LACWHYLSVOZRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c9-5(14)3-16-2-1-11-7-6(10)8(15)13-4-12-7/h4H,1-3,10H2,(H2,9,14)(H2,11,12,13,15).
What are the key properties of 2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 227.22 g/mol, XLogP of -1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 136805707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).