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

C8H12N4O3 — CID 136805713

IUPAC2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N4O3/c9-6(13)4-15-2-1-10-7-3-8(14)12-5-11-7/h3,5H,1-2,4H2,(H2,9,13)(H2,10,11,12,14)
InChIKeyBBHDEWWHHHCHMR-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.32
Rot. Bonds6

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

2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 136805713) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID136805713
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N4O3/c9-6(13)4-15-2-1-10-7-3-8(14)12-5-11-7/h3,5H,1-2,4H2,(H2,9,13)(H2,10,11,12,14)
InChIKeyBBHDEWWHHHCHMR-UHFFFAOYSA-N
XLogP-1.32
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Morpholinopyrimidin-4-ol
CID 136128233
4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896834
4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956681
2-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 136473820
4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137138532
4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one
CID 136690727
4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730539
4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764980
2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805706
2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805707
2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805709
2-[2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805711

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide (CID 136805713) is 2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide is NC(=O)COCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is BBHDEWWHHHCHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c9-6(13)4-15-2-1-10-7-3-8(14)12-5-11-7/h3,5H,1-2,4H2,(H2,9,13)(H2,10,11,12,14).
What are the key properties of 2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 212.21 g/mol, XLogP of -1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 136805713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).