7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one

C11H11BrN2O2 — CID 144979672

IUPAC7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2ccc(Br)cn2c(=O)c1OC
InChIInChI=1S/C11H11BrN2O2/c1-3-8-10(16-2)11(15)14-6-7(12)4-5-9(14)13-8/h4-6H,3H2,1-2H3
InChIKeyISHCXTOFIBDFTK-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.03
Rot. Bonds2

About 7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one

7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 144979672) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID144979672
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2ccc(Br)cn2c(=O)c1OC
InChIInChI=1S/C11H11BrN2O2/c1-3-8-10(16-2)11(15)14-6-7(12)4-5-9(14)13-8/h4-6H,3H2,1-2H3
InChIKeyISHCXTOFIBDFTK-UHFFFAOYSA-N
XLogP2.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one (CID 144979672) is 7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one is CCc1nc2ccc(Br)cn2c(=O)c1OC.
What is the InChIKey of 7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ISHCXTOFIBDFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-3-8-10(16-2)11(15)14-6-7(12)4-5-9(14)13-8/h4-6H,3H2,1-2H3.
What are the key properties of 7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 283.12 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 144979672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).