N-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide

C12H17N3O3 — CID 63769888

IUPACN-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1cnccc1=O)C(C)C
InChIInChI=1S/C12H17N3O3/c1-8(2)12(9(3)16)14-10(17)6-15-7-13-5-4-11(15)18/h4-5,7-8,12H,6H2,1-3H3,(H,14,17)
InChIKeyBEJVMJBJVUEGPT-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.03
Rot. Bonds5

About N-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide

N-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 63769888) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID63769888
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1cnccc1=O)C(C)C
InChIInChI=1S/C12H17N3O3/c1-8(2)12(9(3)16)14-10(17)6-15-7-13-5-4-11(15)18/h4-5,7-8,12H,6H2,1-3H3,(H,14,17)
InChIKeyBEJVMJBJVUEGPT-UHFFFAOYSA-N
XLogP-0.03
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide 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-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide (CID 63769888) is N-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide is CC(=O)C(NC(=O)Cn1cnccc1=O)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is BEJVMJBJVUEGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(2)12(9(3)16)14-10(17)6-15-7-13-5-4-11(15)18/h4-5,7-8,12H,6H2,1-3H3,(H,14,17).
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide?
N-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 63769888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).