2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide

C11H17N3O2 — CID 115696870

IUPAC2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cnccc1=O
InChIInChI=1S/C11H17N3O2/c1-3-4-9(2)13-10(15)7-14-8-12-6-5-11(14)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyOGGVTZYGBLKXHK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.55
Rot. Bonds5

About 2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide

2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide (PubChem CID 115696870) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
PubChem CID115696870
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cnccc1=O
InChIInChI=1S/C11H17N3O2/c1-3-4-9(2)13-10(15)7-14-8-12-6-5-11(14)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyOGGVTZYGBLKXHK-UHFFFAOYSA-N
XLogP0.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide (CID 115696870) is 2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1cnccc1=O.
What is the InChIKey of 2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The InChIKey is OGGVTZYGBLKXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-4-9(2)13-10(15)7-14-8-12-6-5-11(14)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of 2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide has a molecular weight of 223.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 115696870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).