N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide

C16H15N3O3 — CID 50941007

IUPACN-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1
InChIInChI=1S/C16H15N3O3/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)
InChIKeyDEZKWNXSFMAETO-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.74
Rot. Bonds5

About N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide

N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide (PubChem CID 50941007) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide
PubChem CID50941007
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1
InChIInChI=1S/C16H15N3O3/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)
InChIKeyDEZKWNXSFMAETO-UHFFFAOYSA-N
XLogP3.74
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.74
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-3-yl)pyrimidin-4-yl]butanamide?
The IUPAC name of N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide (CID 50941007) is N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide.
What is the SMILES notation for N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide?
The canonical SMILES for N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide is CCCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1.
What is the InChIKey of N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide?
The InChIKey is DEZKWNXSFMAETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/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-bis(furan-3-yl)pyrimidin-4-yl]butanamide?
N-[2,6-bis(furan-3-yl)pyrimidin-4-yl]butanamide has a molecular weight of 297.31 g/mol, XLogP of 3.74, 5 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-3-yl)pyrimidin-4-yl]butanamide is sourced from PubChem (CID 50941007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).