N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide

C16H16N4O — CID 20868679

IUPACN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C16H16N4O/c1-2-4-15(21)18-13-7-5-12(6-8-13)14-11-20-10-3-9-17-16(20)19-14/h3,5-11H,2,4H2,1H3,(H,18,21)
InChIKeyVGQGLGMIZGMOFD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.13
Rot. Bonds4

About N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide (PubChem CID 20868679) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide
PubChem CID20868679
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C16H16N4O/c1-2-4-15(21)18-13-7-5-12(6-8-13)14-11-20-10-3-9-17-16(20)19-14/h3,5-11H,2,4H2,1H3,(H,18,21)
InChIKeyVGQGLGMIZGMOFD-UHFFFAOYSA-N
XLogP3.13
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide (CID 20868679) is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide is CCCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide?
The InChIKey is VGQGLGMIZGMOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-4-15(21)18-13-7-5-12(6-8-13)14-11-20-10-3-9-17-16(20)19-14/h3,5-11H,2,4H2,1H3,(H,18,21).
What are the key properties of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide?
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide has a molecular weight of 280.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide is sourced from PubChem (CID 20868679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).