6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide

C21H21N3O2S — CID 91940355

IUPAC6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide
SMILESCCCN(CC=Cc1ccccc1)C(=O)c1cnc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C21H21N3O2S/c1-2-12-24(13-6-10-16-8-4-3-5-9-16)21(26)17-15-22-19(23-20(17)25)18-11-7-14-27-18/h3-11,14-15H,2,12-13H2,1H3,(H,22,23,25)
InChIKeyOJPIDEQGXROIQC-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.06
Rot. Bonds7

About 6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide

6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 91940355) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID91940355
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide
SMILESCCCN(CC=Cc1ccccc1)C(=O)c1cnc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C21H21N3O2S/c1-2-12-24(13-6-10-16-8-4-3-5-9-16)21(26)17-15-22-19(23-20(17)25)18-11-7-14-27-18/h3-11,14-15H,2,12-13H2,1H3,(H,22,23,25)
InChIKeyOJPIDEQGXROIQC-UHFFFAOYSA-N
XLogP4.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide 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 6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide (CID 91940355) is 6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide is CCCN(CC=Cc1ccccc1)C(=O)c1cnc(-c2cccs2)[nH]c1=O.
What is the InChIKey of 6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is OJPIDEQGXROIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-2-12-24(13-6-10-16-8-4-3-5-9-16)21(26)17-15-22-19(23-20(17)25)18-11-7-14-27-18/h3-11,14-15H,2,12-13H2,1H3,(H,22,23,25).
What are the key properties of 6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide?
6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-phenylprop-2-enyl)-N-propyl-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91940355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).