2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide

C11H17N3O2 — CID 60675949

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(C)C
InChIInChI=1S/C11H17N3O2/c1-6(2)12-10(15)5-9-7(3)13-11(16)14-8(9)4/h6H,5H2,1-4H3,(H,12,15)(H,13,14,16)
InChIKeyDAXUIKZUIBAGJL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.45
Rot. Bonds3

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide (PubChem CID 60675949) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide
PubChem CID60675949
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(C)C
InChIInChI=1S/C11H17N3O2/c1-6(2)12-10(15)5-9-7(3)13-11(16)14-8(9)4/h6H,5H2,1-4H3,(H,12,15)(H,13,14,16)
InChIKeyDAXUIKZUIBAGJL-UHFFFAOYSA-N
XLogP0.45
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide (CID 60675949) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)NC(C)C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide?
The InChIKey is DAXUIKZUIBAGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-6(2)12-10(15)5-9-7(3)13-11(16)14-8(9)4/h6H,5H2,1-4H3,(H,12,15)(H,13,14,16).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide has a molecular weight of 223.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 60675949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).