N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide

C15H13N3OS2 — CID 50940932

IUPACN-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccsc2)cc(-c2ccsc2)n1
InChIInChI=1S/C15H13N3OS2/c1-2-14(19)18-15-16-12(10-3-5-20-8-10)7-13(17-15)11-4-6-21-9-11/h3-9H,2H2,1H3,(H,16,17,18,19)
InChIKeyZWLARIFBBGEWOS-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.28
Rot. Bonds4

About N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide

N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide (PubChem CID 50940932) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide
PubChem CID50940932
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC NameN-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccsc2)cc(-c2ccsc2)n1
InChIInChI=1S/C15H13N3OS2/c1-2-14(19)18-15-16-12(10-3-5-20-8-10)7-13(17-15)11-4-6-21-9-11/h3-9H,2H2,1H3,(H,16,17,18,19)
InChIKeyZWLARIFBBGEWOS-UHFFFAOYSA-N
XLogP4.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]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

N-2,6-dithiophen-2-yl)pyrimidin-4-yl)acetamide
CID 50940965
N-(4,6-dimethylpyrimidin-2-yl)-2-(thiophen-2-yl)acetamide
CID 646401
N-Benzyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 993268
2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 993301
2-(4-Phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1140873
N-[2-(tert-butyl)phenyl]-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-ylthi o]acetamide
CID 1152412
N-(2,6-dimethylphenyl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1152424
N-(4,6-di(thiophen-3-yl)pyrimidin-2-yl)butyramide
CID 44203644
N-(4,6-bis(4-(methylthio)phenyl)pyrimidin-2-yl)propionamide
CID 50940921
N-(4,6-di(thiophen-2-yl)pyrimidin-2-yl)butyramide
CID 50940944
N-2,6-dithiophen-3-yl)pyrimidin-4-yl)acetamide
CID 50940967
N-2,6-dithiophen-2-yl)pyrimidin-4-yl)propionamide
CID 50940979

Frequently Asked Questions

What is the IUPAC name of N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide?
The IUPAC name of N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide (CID 50940932) is N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide.
What is the SMILES notation for N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide?
The canonical SMILES for N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide is CCC(=O)Nc1nc(-c2ccsc2)cc(-c2ccsc2)n1.
What is the InChIKey of N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide?
The InChIKey is ZWLARIFBBGEWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-2-14(19)18-15-16-12(10-3-5-20-8-10)7-13(17-15)11-4-6-21-9-11/h3-9H,2H2,1H3,(H,16,17,18,19).
What are the key properties of N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide?
N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide has a molecular weight of 315.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-di(thiophen-3-yl)pyrimidin-2-yl]propanamide is sourced from PubChem (CID 50940932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).