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

C16H15N3OS2 — CID 50941008

IUPACN-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1
InChIInChI=1S/C16H15N3OS2/c1-2-3-15(20)18-14-8-13(11-4-6-21-9-11)17-16(19-14)12-5-7-22-10-12/h4-10H,2-3H2,1H3,(H,17,18,19,20)
InChIKeyORQJMCNIEBEXQC-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.67
Rot. Bonds5

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

N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]butanamide (PubChem CID 50941008) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]butanamide
PubChem CID50941008
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC NameN-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1
InChIInChI=1S/C16H15N3OS2/c1-2-3-15(20)18-14-8-13(11-4-6-21-9-11)17-16(19-14)12-5-7-22-10-12/h4-10H,2-3H2,1H3,(H,17,18,19,20)
InChIKeyORQJMCNIEBEXQC-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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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]butanamide?
The IUPAC name of N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]butanamide (CID 50941008) is N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]butanamide.
What is the SMILES notation for N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]butanamide?
The canonical SMILES for N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]butanamide is CCCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1.
What is the InChIKey of N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]butanamide?
The InChIKey is ORQJMCNIEBEXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-2-3-15(20)18-14-8-13(11-4-6-21-9-11)17-16(19-14)12-5-7-22-10-12/h4-10H,2-3H2,1H3,(H,17,18,19,20).
What are the key properties of N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]butanamide?
N-[2,6-di(thiophen-3-yl)pyrimidin-4-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-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]butanamide is sourced from PubChem (CID 50941008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).