2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C14H19N3O2 — CID 43074734

IUPAC2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(CCO)Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C14H19N3O2/c1-3-16(7-8-18)10-12-9-13(19)17-6-4-5-11(2)14(17)15-12/h4-6,9,18H,3,7-8,10H2,1-2H3
InChIKeyWSPJMQJXGNPKFW-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.82
Rot. Bonds5

About 2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 43074734) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID43074734
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(CCO)Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C14H19N3O2/c1-3-16(7-8-18)10-12-9-13(19)17-6-4-5-11(2)14(17)15-12/h4-6,9,18H,3,7-8,10H2,1-2H3
InChIKeyWSPJMQJXGNPKFW-UHFFFAOYSA-N
XLogP0.82
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 43074734) is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is CCN(CCO)Cc1cc(=O)n2cccc(C)c2n1.
What is the InChIKey of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WSPJMQJXGNPKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-16(7-8-18)10-12-9-13(19)17-6-4-5-11(2)14(17)15-12/h4-6,9,18H,3,7-8,10H2,1-2H3.
What are the key properties of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 261.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 43074734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).