N-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide

C16H15N3OS2 — CID 50940944

IUPACN-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(-c2cccs2)cc(-c2cccs2)n1
InChIInChI=1S/C16H15N3OS2/c1-2-5-15(20)19-16-17-11(13-6-3-8-21-13)10-12(18-16)14-7-4-9-22-14/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)
InChIKeyVXWWIISWNYQGQF-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.67
Rot. Bonds5

About N-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide

N-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide (PubChem CID 50940944) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide.

Molecular Properties

Compound NameN-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide
PubChem CID50940944
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC NameN-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(-c2cccs2)cc(-c2cccs2)n1
InChIInChI=1S/C16H15N3OS2/c1-2-5-15(20)19-16-17-11(13-6-3-8-21-13)10-12(18-16)14-7-4-9-22-14/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)
InChIKeyVXWWIISWNYQGQF-UHFFFAOYSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-Isobutyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 1152385
N-sec-Butyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 3145753
N-[4-(2-thienyl)-2-pyrimidinyl]-2-thiophenecarboxamide
CID 3567576
N-(4,6-di(thiophen-3-yl)pyrimidin-2-yl)butyramide
CID 44203644
N-(4,6-di(thiophen-3-yl)pyrimidin-2-yl)propionamide
CID 50940932
N-2,6-dithiophen-3-yl)pyrimidin-4-yl)acetamide
CID 50940967
N-2,6-dithiophen-2-yl)pyrimidin-4-yl)propionamide
CID 50940979
N-2,6-dithiophen-3-yl)pyrimidin-4-yl)propionamide
CID 50940981
N-2,6-dithiophen-2-yl)pyrimidin-4-yl)butyramide
CID 50941006
N-2,6-dithiophen-3-yl)pyrimidin-4-yl)butyramide
CID 50941008

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide?
The IUPAC name of N-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide (CID 50940944) is N-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide.
What is the SMILES notation for N-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide?
The canonical SMILES for N-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide is CCCC(=O)Nc1nc(-c2cccs2)cc(-c2cccs2)n1.
What is the InChIKey of N-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide?
The InChIKey is VXWWIISWNYQGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-2-5-15(20)19-16-17-11(13-6-3-8-21-13)10-12(18-16)14-7-4-9-22-14/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20).
What are the key properties of N-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide?
N-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide has a molecular weight of 329.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dithiophen-2-ylpyrimidin-2-yl)butanamide is sourced from PubChem (CID 50940944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).