3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one

C10H9BrN2O2 — CID 67548954

IUPAC3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccn2c(=O)c(Br)c(C)nc12
InChIInChI=1S/C10H9BrN2O2/c1-6-8(11)10(14)13-5-3-4-7(15-2)9(13)12-6/h3-5H,1-2H3
InChIKeyXZHGNTVGKXVYNK-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.77
Rot. Bonds1

About 3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one

3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 67548954) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID67548954
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccn2c(=O)c(Br)c(C)nc12
InChIInChI=1S/C10H9BrN2O2/c1-6-8(11)10(14)13-5-3-4-7(15-2)9(13)12-6/h3-5H,1-2H3
InChIKeyXZHGNTVGKXVYNK-UHFFFAOYSA-N
XLogP1.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 67548954) is 3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one is COc1cccn2c(=O)c(Br)c(C)nc12.
What is the InChIKey of 3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XZHGNTVGKXVYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-6-8(11)10(14)13-5-3-4-7(15-2)9(13)12-6/h3-5H,1-2H3.
What are the key properties of 3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 269.10 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67548954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).