2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one

C11H13N3O — CID 115022990

IUPAC2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CCN)nc12
InChIInChI=1S/C11H13N3O/c1-8-3-2-6-14-10(15)7-9(4-5-12)13-11(8)14/h2-3,6-7H,4-5,12H2,1H3
InChIKeyGRPFEVHWQAUGOS-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.50
Rot. Bonds2

About 2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one

2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115022990) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115022990
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CCN)nc12
InChIInChI=1S/C11H13N3O/c1-8-3-2-6-14-10(15)7-9(4-5-12)13-11(8)14/h2-3,6-7H,4-5,12H2,1H3
InChIKeyGRPFEVHWQAUGOS-UHFFFAOYSA-N
XLogP0.50
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 115022990) is 2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CCN)nc12.
What is the InChIKey of 2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GRPFEVHWQAUGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-3-2-6-14-10(15)7-9(4-5-12)13-11(8)14/h2-3,6-7H,4-5,12H2,1H3.
What are the key properties of 2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 203.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115022990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).