2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one

C11H16N4O — CID 136908250

IUPAC2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCCCC/N=C1\Cn2c(nc(C)cc2=O)N1
InChIInChI=1S/C11H16N4O/c1-3-4-5-12-9-7-15-10(16)6-8(2)13-11(15)14-9/h6H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyCTWWEIYUGSONSP-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.18
Rot. Bonds3

About 2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one

2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one (PubChem CID 136908250) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
PubChem CID136908250
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCCCC/N=C1\Cn2c(nc(C)cc2=O)N1
InChIInChI=1S/C11H16N4O/c1-3-4-5-12-9-7-15-10(16)6-8(2)13-11(15)14-9/h6H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyCTWWEIYUGSONSP-UHFFFAOYSA-N
XLogP1.18
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one (CID 136908250) is 2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one is CCCC/N=C1\Cn2c(nc(C)cc2=O)N1.
What is the InChIKey of 2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is CTWWEIYUGSONSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-4-5-12-9-7-15-10(16)6-8(2)13-11(15)14-9/h6H,3-5,7H2,1-2H3,(H,12,13,14).
What are the key properties of 2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 220.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 136908250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).