3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide

C12H20N4O2 — CID 136914216

IUPAC3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCCc1nc(N(C)CC(C)C(=O)NC)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-5-9-14-10(6-11(17)15-9)16(4)7-8(2)12(18)13-3/h6,8H,5,7H2,1-4H3,(H,13,18)(H,14,15,17)
InChIKeyLSKWETNYIFEKDK-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.15
Rot. Bonds5

About 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide

3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 136914216) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID136914216
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCCc1nc(N(C)CC(C)C(=O)NC)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-5-9-14-10(6-11(17)15-9)16(4)7-8(2)12(18)13-3/h6,8H,5,7H2,1-4H3,(H,13,18)(H,14,15,17)
InChIKeyLSKWETNYIFEKDK-UHFFFAOYSA-N
XLogP0.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide 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 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (CID 136914216) is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is CCc1nc(N(C)CC(C)C(=O)NC)cc(=O)[nH]1.
What is the InChIKey of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is LSKWETNYIFEKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-9-14-10(6-11(17)15-9)16(4)7-8(2)12(18)13-3/h6,8H,5,7H2,1-4H3,(H,13,18)(H,14,15,17).
What are the key properties of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 252.32 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 136914216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).