2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide

C13H21N3O2 — CID 46304521

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1c(C)cc(C)nc1=O
InChIInChI=1S/C13H21N3O2/c1-6-15(7-2)12(17)11(5)16-10(4)8-9(3)14-13(16)18/h8,11H,6-7H2,1-5H3
InChIKeyZGOGPTLDRMILAG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.29
Rot. Bonds4

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide (PubChem CID 46304521) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide
PubChem CID46304521
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1c(C)cc(C)nc1=O
InChIInChI=1S/C13H21N3O2/c1-6-15(7-2)12(17)11(5)16-10(4)8-9(3)14-13(16)18/h8,11H,6-7H2,1-5H3
InChIKeyZGOGPTLDRMILAG-UHFFFAOYSA-N
XLogP1.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide (CID 46304521) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)n1c(C)cc(C)nc1=O.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide?
The InChIKey is ZGOGPTLDRMILAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-6-15(7-2)12(17)11(5)16-10(4)8-9(3)14-13(16)18/h8,11H,6-7H2,1-5H3.
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide is sourced from PubChem (CID 46304521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).