(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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Related Compounds

CID 65822
CID 65822
CID 675270
CID 675270
CID 5330616
CID 5330616
CID 10314568
CID 10314568
CID 10402951
CID 10402951
CID 13055762
CID 13055762
CID 13055764
CID 13055764
CID 13279132
CID 13279132
CID 13279134
CID 13279134
CID 13301018
CID 13301018
CID 13301029
CID 13301029
CID 13301030
CID 13301030

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).