2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide

C9H14N4O2 — CID 106235813

IUPAC2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
SMILESNC(=O)COCCNCc1cncnc1
InChIInChI=1S/C9H14N4O2/c10-9(14)6-15-2-1-11-3-8-4-12-7-13-5-8/h4-5,7,11H,1-3,6H2,(H2,10,14)
InChIKeyZZODAXQRELWDSO-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.93
Rot. Bonds7

About 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide

2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide (PubChem CID 106235813) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
PubChem CID106235813
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
SMILESNC(=O)COCCNCc1cncnc1
InChIInChI=1S/C9H14N4O2/c10-9(14)6-15-2-1-11-3-8-4-12-7-13-5-8/h4-5,7,11H,1-3,6H2,(H2,10,14)
InChIKeyZZODAXQRELWDSO-UHFFFAOYSA-N
XLogP-0.93
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol
CID 62759524
2-(pyrimidin-5-ylmethylamino)oxyacetamide
CID 112672662
2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
CID 114161954
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide
CID 106235178
2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide
CID 106235358
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106236435
2-[2-[(5-nitrothiophen-3-yl)methylamino]ethoxy]acetamide
CID 114162091
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide
CID 106236062
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide
CID 106235728
methyl 3-(pyrimidin-5-ylmethylamino)propanoate
CID 62758953
2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide
CID 114162017

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide?
The IUPAC name of 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide (CID 106235813) is 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide is NC(=O)COCCNCc1cncnc1.
What is the InChIKey of 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide?
The InChIKey is ZZODAXQRELWDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-9(14)6-15-2-1-11-3-8-4-12-7-13-5-8/h4-5,7,11H,1-3,6H2,(H2,10,14).
What are the key properties of 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide?
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide has a molecular weight of 210.24 g/mol, XLogP of -0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide is sourced from PubChem (CID 106235813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).