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

C9H14N4O3 — CID 136805706

IUPAC2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCc1nc(NCCOCC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c1-6-12-8(4-9(15)13-6)11-2-3-16-5-7(10)14/h4H,2-3,5H2,1H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyHJCZUGDVFKQWQU-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.01
Rot. Bonds6

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

2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 136805706) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID136805706
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCc1nc(NCCOCC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c1-6-12-8(4-9(15)13-6)11-2-3-16-5-7(10)14/h4H,2-3,5H2,1H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyHJCZUGDVFKQWQU-UHFFFAOYSA-N
XLogP-1.01
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912
2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one
CID 136957285
2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136957026
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-[2-[[6-(propylamino)-2-pyridinyl]amino]ethoxy]acetamide
CID 106241754
2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241808
2-[2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241892
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
2-[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242008

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide (CID 136805706) is 2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide is Cc1nc(NCCOCC(N)=O)cc(=O)[nH]1.
What is the InChIKey of 2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is HJCZUGDVFKQWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-6-12-8(4-9(15)13-6)11-2-3-16-5-7(10)14/h4H,2-3,5H2,1H3,(H2,10,14)(H2,11,12,13,15).
What are the key properties of 2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 226.24 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 136805706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).