2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

C14H23N3O3 — CID 79381298

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C14H23N3O3/c1-6-17(8-14(4,5)20)12(18)7-11-9(2)15-13(19)16-10(11)3/h20H,6-8H2,1-5H3,(H,15,16,19)
InChIKeyZSJDXEWEWKJTGH-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.55
Rot. Bonds5

About 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 79381298) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID79381298
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C14H23N3O3/c1-6-17(8-14(4,5)20)12(18)7-11-9(2)15-13(19)16-10(11)3/h20H,6-8H2,1-5H3,(H,15,16,19)
InChIKeyZSJDXEWEWKJTGH-UHFFFAOYSA-N
XLogP0.55
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (CID 79381298) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is CCN(CC(C)(C)O)C(=O)Cc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is ZSJDXEWEWKJTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-17(8-14(4,5)20)12(18)7-11-9(2)15-13(19)16-10(11)3/h20H,6-8H2,1-5H3,(H,15,16,19).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 79381298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).