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

C10H14ClN3O3 — CID 114582421

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O3/c1-7(10(16)12-3-4-17-2)14-6-13-8(11)5-9(14)15/h5-7H,3-4H2,1-2H3,(H,12,16)
InChIKeyMYBSAZIJZJNRCF-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.22
Rot. Bonds5

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 114582421) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide
PubChem CID114582421
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O3/c1-7(10(16)12-3-4-17-2)14-6-13-8(11)5-9(14)15/h5-7H,3-4H2,1-2H3,(H,12,16)
InChIKeyMYBSAZIJZJNRCF-UHFFFAOYSA-N
XLogP0.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.22
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide (CID 114582421) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)n1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is MYBSAZIJZJNRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-7(10(16)12-3-4-17-2)14-6-13-8(11)5-9(14)15/h5-7H,3-4H2,1-2H3,(H,12,16).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 259.69 g/mol, XLogP of 0.22, 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)propanamide is sourced from PubChem (CID 114582421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).