2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one

C16H23N3O — CID 154612485

IUPAC2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one
SMILESCCCCC(CCCC)C(=O)c1cnc2ncccn12
InChIInChI=1S/C16H23N3O/c1-3-5-8-13(9-6-4-2)15(20)14-12-18-16-17-10-7-11-19(14)16/h7,10-13H,3-6,8-9H2,1-2H3
InChIKeyWGYMIHSAWNACGO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.91
Rot. Bonds8

About 2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one

2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one (PubChem CID 154612485) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one.

Molecular Properties

Compound Name2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one
PubChem CID154612485
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one
SMILESCCCCC(CCCC)C(=O)c1cnc2ncccn12
InChIInChI=1S/C16H23N3O/c1-3-5-8-13(9-6-4-2)15(20)14-12-18-16-17-10-7-11-19(14)16/h7,10-13H,3-6,8-9H2,1-2H3
InChIKeyWGYMIHSAWNACGO-UHFFFAOYSA-N
XLogP3.91
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one?
The IUPAC name of 2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one (CID 154612485) is 2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one.
What is the SMILES notation for 2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one?
The canonical SMILES for 2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one is CCCCC(CCCC)C(=O)c1cnc2ncccn12.
What is the InChIKey of 2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one?
The InChIKey is WGYMIHSAWNACGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-5-8-13(9-6-4-2)15(20)14-12-18-16-17-10-7-11-19(14)16/h7,10-13H,3-6,8-9H2,1-2H3.
What are the key properties of 2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one?
2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one has a molecular weight of 273.38 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one is sourced from PubChem (CID 154612485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).