2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide

C11H17N3O3 — CID 54879518

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(C)CCO
InChIInChI=1S/C11H17N3O3/c1-7-9(8(2)13-11(17)12-7)6-10(16)14(3)4-5-15/h15H,4-6H2,1-3H3,(H,12,13,17)
InChIKeyUMALJUGYENHJRH-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.62
Rot. Bonds4

About 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 54879518) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID54879518
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(C)CCO
InChIInChI=1S/C11H17N3O3/c1-7-9(8(2)13-11(17)12-7)6-10(16)14(3)4-5-15/h15H,4-6H2,1-3H3,(H,12,13,17)
InChIKeyUMALJUGYENHJRH-UHFFFAOYSA-N
XLogP-0.62
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.62
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-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide (CID 54879518) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)N(C)CCO.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is UMALJUGYENHJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-9(8(2)13-11(17)12-7)6-10(16)14(3)4-5-15/h15H,4-6H2,1-3H3,(H,12,13,17).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 239.27 g/mol, XLogP of -0.62, 4 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-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 54879518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).