2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide

C11H17N3O2 — CID 129258525

IUPAC2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1cnc(=O)[nH]c1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)9(15)12-5-4-8-6-13-10(16)14-7-8/h6-7H,4-5H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyZYSINQVBXGYZDP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.47
Rot. Bonds3

About 2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide (PubChem CID 129258525) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide
PubChem CID129258525
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1cnc(=O)[nH]c1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)9(15)12-5-4-8-6-13-10(16)14-7-8/h6-7H,4-5H2,1-3H3,(H,12,15)(H,13,14,16)
InChIKeyZYSINQVBXGYZDP-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide (CID 129258525) is 2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide is CC(C)(C)C(=O)NCCc1cnc(=O)[nH]c1.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide?
The InChIKey is ZYSINQVBXGYZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)9(15)12-5-4-8-6-13-10(16)14-7-8/h6-7H,4-5H2,1-3H3,(H,12,15)(H,13,14,16).
What are the key properties of 2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide has a molecular weight of 223.28 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide is sourced from PubChem (CID 129258525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).