2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H21N3O2 — CID 62669151

IUPAC2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC(CC)(CO)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H21N3O2/c1-3-15(4-2,11-19)16-10-12-9-14(20)18-8-6-5-7-13(18)17-12/h5-9,16,19H,3-4,10-11H2,1-2H3
InChIKeyGBJFOIXOPYFJOM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.34
Rot. Bonds6

About 2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62669151) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62669151
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC(CC)(CO)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H21N3O2/c1-3-15(4-2,11-19)16-10-12-9-14(20)18-8-6-5-7-13(18)17-12/h5-9,16,19H,3-4,10-11H2,1-2H3
InChIKeyGBJFOIXOPYFJOM-UHFFFAOYSA-N
XLogP1.34
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62669151) is 2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CCC(CC)(CO)NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GBJFOIXOPYFJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-15(4-2,11-19)16-10-12-9-14(20)18-8-6-5-7-13(18)17-12/h5-9,16,19H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 275.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62669151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).