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

C11H17N3O2 — CID 115579447

IUPAC2-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C11H17N3O2/c1-3-5-9(2)13-10(15)8-14-7-4-6-12-11(14)16/h4,6-7,9H,3,5,8H2,1-2H3,(H,13,15)
InChIKeyQOVKYUMOHFXKMF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.55
Rot. Bonds5

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

2-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide (PubChem CID 115579447) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
PubChem CID115579447
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C11H17N3O2/c1-3-5-9(2)13-10(15)8-14-7-4-6-12-11(14)16/h4,6-7,9H,3,5,8H2,1-2H3,(H,13,15)
InChIKeyQOVKYUMOHFXKMF-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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Related Compounds

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1-cyclohexyl-3-(2H-pyrimidin-1-yl)piperazin-2-one
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2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 155185974
N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 167286972
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CID 175270409
2-methyl-N-propan-2-yl-2-(2H-pyrimidin-1-yl)propanamide
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1-(3-Aminopentan-2-yl)pyrimidin-2-one
CID 16795027
N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39004583
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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide (CID 115579447) is 2-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1cccnc1=O.
What is the InChIKey of 2-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The InChIKey is QOVKYUMOHFXKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-5-9(2)13-10(15)8-14-7-4-6-12-11(14)16/h4,6-7,9H,3,5,8H2,1-2H3,(H,13,15).
What are the key properties of 2-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
2-(2-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-(2-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 115579447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).