N-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide

C15H17N3O3 — CID 749283

IUPACN-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide
SMILESCOc1cc(NC(=O)CCc2ccccc2)nc(OC)n1
InChIInChI=1S/C15H17N3O3/c1-20-14-10-12(17-15(18-14)21-2)16-13(19)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17,18,19)
InChIKeyXUSSTLRZKBKZLT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.07
Rot. Bonds6

About N-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide

N-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide (PubChem CID 749283) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide
PubChem CID749283
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide
SMILESCOc1cc(NC(=O)CCc2ccccc2)nc(OC)n1
InChIInChI=1S/C15H17N3O3/c1-20-14-10-12(17-15(18-14)21-2)16-13(19)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17,18,19)
InChIKeyXUSSTLRZKBKZLT-UHFFFAOYSA-N
XLogP2.07
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide 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-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide?
The IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide (CID 749283) is N-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide is COc1cc(NC(=O)CCc2ccccc2)nc(OC)n1.
What is the InChIKey of N-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide?
The InChIKey is XUSSTLRZKBKZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-14-10-12(17-15(18-14)21-2)16-13(19)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17,18,19).
What are the key properties of N-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide?
N-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide has a molecular weight of 287.32 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxypyrimidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 749283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).