(5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

C18H19N3O2 — CID 13301045

IUPAC(5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1CC
InChIInChI=1S/C18H19N3O2/c1-4-13-15(5-2)21-11-14(19-18(21)20-17(13)23-3)16(22)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKeyBBUQNXFKTHDBDA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.09
Rot. Bonds5

About (5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

(5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (PubChem CID 13301045) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
PubChem CID13301045
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1CC
InChIInChI=1S/C18H19N3O2/c1-4-13-15(5-2)21-11-14(19-18(21)20-17(13)23-3)16(22)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKeyBBUQNXFKTHDBDA-UHFFFAOYSA-N
XLogP3.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The IUPAC name of (5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (CID 13301045) is (5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.
What is the SMILES notation for (5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The canonical SMILES for (5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is CCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1CC.
What is the InChIKey of (5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The InChIKey is BBUQNXFKTHDBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-13-15(5-2)21-11-14(19-18(21)20-17(13)23-3)16(22)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3.
What are the key properties of (5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
(5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone has a molecular weight of 309.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-diethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is sourced from PubChem (CID 13301045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).