N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide

C11H15N3O2 — CID 873347

IUPACN-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide
SMILESCCC(=O)Nc1nc(C)nc(C)c1C(C)=O
InChIInChI=1S/C11H15N3O2/c1-5-9(16)14-11-10(7(3)15)6(2)12-8(4)13-11/h5H2,1-4H3,(H,12,13,14,16)
InChIKeySZYOCURNLMRUTI-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.64
Rot. Bonds3

About N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide

N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide (PubChem CID 873347) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide
PubChem CID873347
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide
SMILESCCC(=O)Nc1nc(C)nc(C)c1C(C)=O
InChIInChI=1S/C11H15N3O2/c1-5-9(16)14-11-10(7(3)15)6(2)12-8(4)13-11/h5H2,1-4H3,(H,12,13,14,16)
InChIKeySZYOCURNLMRUTI-UHFFFAOYSA-N
XLogP1.64
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide?
The IUPAC name of N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide (CID 873347) is N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide.
What is the SMILES notation for N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide?
The canonical SMILES for N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide is CCC(=O)Nc1nc(C)nc(C)c1C(C)=O.
What is the InChIKey of N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide?
The InChIKey is SZYOCURNLMRUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-5-9(16)14-11-10(7(3)15)6(2)12-8(4)13-11/h5H2,1-4H3,(H,12,13,14,16).
What are the key properties of N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide?
N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide has a molecular weight of 221.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 873347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).