N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide

C13H21N3O3 — CID 119072623

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C13H21N3O3/c1-5-19-11(4)12(17)14-6-7-16-10(3)8-9(2)15-13(16)18/h8,11H,5-7H2,1-4H3,(H,14,17)
InChIKeyWLLKBNITUQPNCW-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.40
Rot. Bonds6

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide (PubChem CID 119072623) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide
PubChem CID119072623
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C13H21N3O3/c1-5-19-11(4)12(17)14-6-7-16-10(3)8-9(2)15-13(16)18/h8,11H,5-7H2,1-4H3,(H,14,17)
InChIKeyWLLKBNITUQPNCW-UHFFFAOYSA-N
XLogP0.40
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide (CID 119072623) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide is CCOC(C)C(=O)NCCn1c(C)cc(C)nc1=O.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide?
The InChIKey is WLLKBNITUQPNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-19-11(4)12(17)14-6-7-16-10(3)8-9(2)15-13(16)18/h8,11H,5-7H2,1-4H3,(H,14,17).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide has a molecular weight of 267.33 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide is sourced from PubChem (CID 119072623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).