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

C14H11N3OS2 — CID 50940967

IUPACN-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1
InChIInChI=1S/C14H11N3OS2/c1-9(18)15-13-6-12(10-2-4-19-7-10)16-14(17-13)11-3-5-20-8-11/h2-8H,1H3,(H,15,16,17,18)
InChIKeyQGULJVNBUHGCQB-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.89
Rot. Bonds3

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

N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]acetamide (PubChem CID 50940967) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]acetamide
PubChem CID50940967
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC NameN-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1
InChIInChI=1S/C14H11N3OS2/c1-9(18)15-13-6-12(10-2-4-19-7-10)16-14(17-13)11-3-5-20-8-11/h2-8H,1H3,(H,15,16,17,18)
InChIKeyQGULJVNBUHGCQB-UHFFFAOYSA-N
XLogP3.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.89
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]acetamide?
The IUPAC name of N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]acetamide (CID 50940967) is N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1.
What is the InChIKey of N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]acetamide?
The InChIKey is QGULJVNBUHGCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c1-9(18)15-13-6-12(10-2-4-19-7-10)16-14(17-13)11-3-5-20-8-11/h2-8H,1H3,(H,15,16,17,18).
What are the key properties of N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]acetamide?
N-[2,6-di(thiophen-3-yl)pyrimidin-4-yl]acetamide has a molecular weight of 301.40 g/mol, XLogP of 3.89, 3 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]acetamide is sourced from PubChem (CID 50940967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).