N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide

C9H13N3O3 — CID 39877725

IUPACN-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCOCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H13N3O3/c1-15-6-4-10-8(13)7-12-5-2-3-11-9(12)14/h2-3,5H,4,6-7H2,1H3,(H,10,13)
InChIKeyJMZBXDJQZGQDMB-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.99
Rot. Bonds5

About N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 39877725) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID39877725
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCOCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H13N3O3/c1-15-6-4-10-8(13)7-12-5-2-3-11-9(12)14/h2-3,5H,4,6-7H2,1H3,(H,10,13)
InChIKeyJMZBXDJQZGQDMB-UHFFFAOYSA-N
XLogP-0.99
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 122132565
2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 60758847
N-(2-methoxyethyl)-2H-pyrimidine-1-carboxamide
CID 69721046
2-acetamidoethyl 2H-pyrimidine-1-carboxylate
CID 140164796
N-butyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 39889719
N-(3-methoxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39891646
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428125
N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428130
N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428137
N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428142
Methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 43431551
Methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 43431615

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 39877725) is N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide is COCCNC(=O)Cn1cccnc1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is JMZBXDJQZGQDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-15-6-4-10-8(13)7-12-5-2-3-11-9(12)14/h2-3,5H,4,6-7H2,1H3,(H,10,13).
What are the key properties of N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 211.22 g/mol, XLogP of -0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 39877725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).