2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C20H23N3O2 — CID 42929148

IUPAC2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1ccc(C(C)NCc2cc(=O)n3cc(C)ccc3n2)cc1
InChIInChI=1S/C20H23N3O2/c1-4-25-18-8-6-16(7-9-18)15(3)21-12-17-11-20(24)23-13-14(2)5-10-19(23)22-17/h5-11,13,15,21H,4,12H2,1-3H3
InChIKeyJBNCQGXBMTWJDL-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.25
Rot. Bonds6

About 2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 42929148) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID42929148
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1ccc(C(C)NCc2cc(=O)n3cc(C)ccc3n2)cc1
InChIInChI=1S/C20H23N3O2/c1-4-25-18-8-6-16(7-9-18)15(3)21-12-17-11-20(24)23-13-14(2)5-10-19(23)22-17/h5-11,13,15,21H,4,12H2,1-3H3
InChIKeyJBNCQGXBMTWJDL-UHFFFAOYSA-N
XLogP3.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 42929148) is 2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is CCOc1ccc(C(C)NCc2cc(=O)n3cc(C)ccc3n2)cc1.
What is the InChIKey of 2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JBNCQGXBMTWJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-25-18-8-6-16(7-9-18)15(3)21-12-17-11-20(24)23-13-14(2)5-10-19(23)22-17/h5-11,13,15,21H,4,12H2,1-3H3.
What are the key properties of 2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 337.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42929148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).