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

C16H19N3O3 — CID 135777123

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1
InChIInChI=1S/C16H19N3O3/c1-10-14(16(21)18-11(2)17-10)8-9-15(20)19-12-4-6-13(22-3)7-5-12/h4-7H,8-9H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyUODXVYZOCLTIJO-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.97
Rot. Bonds5

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

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide (PubChem CID 135777123) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide
PubChem CID135777123
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1
InChIInChI=1S/C16H19N3O3/c1-10-14(16(21)18-11(2)17-10)8-9-15(20)19-12-4-6-13(22-3)7-5-12/h4-7H,8-9H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyUODXVYZOCLTIJO-UHFFFAOYSA-N
XLogP1.97
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide 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-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide (CID 135777123) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is UODXVYZOCLTIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-14(16(21)18-11(2)17-10)8-9-15(20)19-12-4-6-13(22-3)7-5-12/h4-7H,8-9H2,1-3H3,(H,19,20)(H,17,18,21).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 301.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 135777123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).