N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

C16H19N3O2 — CID 45496961

IUPACN-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cnc(C)cc1=O
InChIInChI=1S/C16H19N3O2/c1-3-18(10-14-7-5-4-6-8-14)16(21)11-19-12-17-13(2)9-15(19)20/h4-9,12H,3,10-11H2,1-2H3
InChIKeyPDVYAZMHSULUSD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.60
Rot. Bonds5

About N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 45496961) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID45496961
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cnc(C)cc1=O
InChIInChI=1S/C16H19N3O2/c1-3-18(10-14-7-5-4-6-8-14)16(21)11-19-12-17-13(2)9-15(19)20/h4-9,12H,3,10-11H2,1-2H3
InChIKeyPDVYAZMHSULUSD-UHFFFAOYSA-N
XLogP1.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 45496961) is N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is CCN(Cc1ccccc1)C(=O)Cn1cnc(C)cc1=O.
What is the InChIKey of N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is PDVYAZMHSULUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-18(10-14-7-5-4-6-8-14)16(21)11-19-12-17-13(2)9-15(19)20/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 45496961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).