5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one

C12H19N3O — CID 139542427

IUPAC5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one
SMILESCCCCc1c(CC)c(=O)nc2n1CCN2
InChIInChI=1S/C12H19N3O/c1-3-5-6-10-9(4-2)11(16)14-12-13-7-8-15(10)12/h3-8H2,1-2H3,(H,13,14,16)
InChIKeyASPGBCSZQYCWRW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.57
Rot. Bonds4

About 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one

5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one (PubChem CID 139542427) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one
PubChem CID139542427
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one
SMILESCCCCc1c(CC)c(=O)nc2n1CCN2
InChIInChI=1S/C12H19N3O/c1-3-5-6-10-9(4-2)11(16)14-12-13-7-8-15(10)12/h3-8H2,1-2H3,(H,13,14,16)
InChIKeyASPGBCSZQYCWRW-UHFFFAOYSA-N
XLogP1.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one?
The IUPAC name of 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one (CID 139542427) is 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one?
The canonical SMILES for 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one is CCCCc1c(CC)c(=O)nc2n1CCN2.
What is the InChIKey of 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one?
The InChIKey is ASPGBCSZQYCWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-5-6-10-9(4-2)11(16)14-12-13-7-8-15(10)12/h3-8H2,1-2H3,(H,13,14,16).
What are the key properties of 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one?
5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one has a molecular weight of 221.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one is sourced from PubChem (CID 139542427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).