6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one

C17H19N3O — CID 166788912

IUPAC6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCc1c(C(C)C)[nH]c2nc(-c3ccccc3)cn2c1=O
InChIInChI=1S/C17H19N3O/c1-4-13-15(11(2)3)19-17-18-14(10-20(17)16(13)21)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyCVDFRCONCPOWRN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.38
Rot. Bonds3

About 6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one

6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 166788912) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID166788912
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCc1c(C(C)C)[nH]c2nc(-c3ccccc3)cn2c1=O
InChIInChI=1S/C17H19N3O/c1-4-13-15(11(2)3)19-17-18-14(10-20(17)16(13)21)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyCVDFRCONCPOWRN-UHFFFAOYSA-N
XLogP3.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one (CID 166788912) is 6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one is CCc1c(C(C)C)[nH]c2nc(-c3ccccc3)cn2c1=O.
What is the InChIKey of 6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is CVDFRCONCPOWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-13-15(11(2)3)19-17-18-14(10-20(17)16(13)21)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of 6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one?
6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 281.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 166788912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).