N-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide

C14H11N3O3 — CID 50940964

IUPACN-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1
InChIInChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)
InChIKeyNZYYJYYUIUOBHV-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.95
Rot. Bonds3

About N-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide

N-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 50940964) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide
PubChem CID50940964
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1
InChIInChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)
InChIKeyNZYYJYYUIUOBHV-UHFFFAOYSA-N
XLogP2.95
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide (CID 50940964) is N-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1.
What is the InChIKey of N-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is NZYYJYYUIUOBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18).
What are the key properties of N-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide?
N-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 269.26 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(furan-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 50940964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).