N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane

C13H23N3O2 — CID 143940615

IUPACN-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
SMILESCC.CCCCNC(=O)Cc1cnc(C)[nH]c1=O
InChIInChI=1S/C11H17N3O2.C2H6/c1-3-4-5-12-10(15)6-9-7-13-8(2)14-11(9)16;1-2/h7H,3-6H2,1-2H3,(H,12,15)(H,13,14,16);1-2H3
InChIKeyUSHKLLZRHMHHOY-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.56
Rot. Bonds5

About N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane

N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane (PubChem CID 143940615) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane.

Molecular Properties

Compound NameN-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
PubChem CID143940615
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
SMILESCC.CCCCNC(=O)Cc1cnc(C)[nH]c1=O
InChIInChI=1S/C11H17N3O2.C2H6/c1-3-4-5-12-10(15)6-9-7-13-8(2)14-11(9)16;1-2/h7H,3-6H2,1-2H3,(H,12,15)(H,13,14,16);1-2H3
InChIKeyUSHKLLZRHMHHOY-UHFFFAOYSA-N
XLogP1.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane with MolForge

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

Launch Full Analysis

Related Compounds

5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
2-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 99983897
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855
2-tert-butyl-5-ethyl-1H-pyrimidin-6-one
CID 24903858
2,5-diethyl-1H-pyrimidin-6-one
CID 53918073
N-butyl-2-[6-oxo-2-(1-sulfanylethyl)-1H-pyrimidin-5-yl]acetamide
CID 90875368
5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 90925807
2-(6-oxo-1H-pyrimidin-5-yl)acetamide
CID 119092421
N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940488

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
The IUPAC name of N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane (CID 143940615) is N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane.
What is the SMILES notation for N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
The canonical SMILES for N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane is CC.CCCCNC(=O)Cc1cnc(C)[nH]c1=O.
What is the InChIKey of N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
The InChIKey is USHKLLZRHMHHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.C2H6/c1-3-4-5-12-10(15)6-9-7-13-8(2)14-11(9)16;1-2/h7H,3-6H2,1-2H3,(H,12,15)(H,13,14,16);1-2H3.
What are the key properties of N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane has a molecular weight of 253.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane is sourced from PubChem (CID 143940615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).