3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide

C13H19N3O2 — CID 137003571

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)CCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C13H19N3O2/c1-8(2)7-14-12(17)6-5-11-9(3)15-10(4)16-13(11)18/h1,5-7H2,2-4H3,(H,14,17)(H,15,16,18)
InChIKeyBWOLUQQZWWCFSU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.01
Rot. Bonds5

About 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide (PubChem CID 137003571) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide
PubChem CID137003571
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)CCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C13H19N3O2/c1-8(2)7-14-12(17)6-5-11-9(3)15-10(4)16-13(11)18/h1,5-7H2,2-4H3,(H,14,17)(H,15,16,18)
InChIKeyBWOLUQQZWWCFSU-UHFFFAOYSA-N
XLogP1.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide 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

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxybutyl)propanamide
CID 136772476
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 136935048
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 135587917
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-ethylphenyl)propanamide
CID 135550253
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 135954015
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 135676927
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 136846775
N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137010429
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 135888063
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135783257
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 135901538
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 135676897

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide (CID 137003571) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide is C=C(C)CNC(=O)CCc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is BWOLUQQZWWCFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)7-14-12(17)6-5-11-9(3)15-10(4)16-13(11)18/h1,5-7H2,2-4H3,(H,14,17)(H,15,16,18).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 137003571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).