2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide

C9H12ClN3O3 — CID 114582039

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O3/c1-16-3-2-11-8(14)5-13-6-12-7(10)4-9(13)15/h4,6H,2-3,5H2,1H3,(H,11,14)
InChIKeyUFOOTBLNPPEBGZ-UHFFFAOYSA-N
MW245.67 g/mol
LogP-0.34
Rot. Bonds5

About 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 114582039) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID114582039
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O3/c1-16-3-2-11-8(14)5-13-6-12-7(10)4-9(13)15/h4,6H,2-3,5H2,1H3,(H,11,14)
InChIKeyUFOOTBLNPPEBGZ-UHFFFAOYSA-N
XLogP-0.34
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 5-0.34
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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-ynylacetamide
CID 114582322
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114583334
6-chloro-3-(4-methoxybutyl)pyrimidin-4-one
CID 114582170
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114585479
N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 115944319
2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114582367
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114583701
N-(2-methoxyethyl)-2-(2-oxo-1H-imidazol-3-yl)acetamide
CID 103125914
2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 18525583
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090879
2-[3-(4-fluorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide
CID 20922429

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide (CID 114582039) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is UFOOTBLNPPEBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c1-16-3-2-11-8(14)5-13-6-12-7(10)4-9(13)15/h4,6H,2-3,5H2,1H3,(H,11,14).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 245.67 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 114582039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).