2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one

C14H19N3O2 — CID 44611032

IUPAC2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(CC)c1nc2c(C)cccn2c(=O)c1CO
InChIInChI=1S/C14H19N3O2/c1-4-16(5-2)13-11(9-18)14(19)17-8-6-7-10(3)12(17)15-13/h6-8,18H,4-5,9H2,1-3H3
InChIKeyZMGQNBQVRXYLRT-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.34
Rot. Bonds4

About 2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one

2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 44611032) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID44611032
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(CC)c1nc2c(C)cccn2c(=O)c1CO
InChIInChI=1S/C14H19N3O2/c1-4-16(5-2)13-11(9-18)14(19)17-8-6-7-10(3)12(17)15-13/h6-8,18H,4-5,9H2,1-3H3
InChIKeyZMGQNBQVRXYLRT-UHFFFAOYSA-N
XLogP1.34
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 44611032) is 2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one is CCN(CC)c1nc2c(C)cccn2c(=O)c1CO.
What is the InChIKey of 2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZMGQNBQVRXYLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-16(5-2)13-11(9-18)14(19)17-8-6-7-10(3)12(17)15-13/h6-8,18H,4-5,9H2,1-3H3.
What are the key properties of 2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 261.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-3-(hydroxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 44611032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).