2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H23N3O2 — CID 106285136

IUPAC2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC(CC)C(O)CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H23N3O2/c1-3-12(4-2)14(20)11-17-10-13-9-16(21)19-8-6-5-7-15(19)18-13/h5-9,12,14,17,20H,3-4,10-11H2,1-2H3
InChIKeyPQDHWXZSDMMMRK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.58
Rot. Bonds7

About 2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 106285136) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID106285136
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC(CC)C(O)CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H23N3O2/c1-3-12(4-2)14(20)11-17-10-13-9-16(21)19-8-6-5-7-15(19)18-13/h5-9,12,14,17,20H,3-4,10-11H2,1-2H3
InChIKeyPQDHWXZSDMMMRK-UHFFFAOYSA-N
XLogP1.58
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[[(2R)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723135
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[[[(2S)-2-hydroxypropyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 168723380
2-[[[(2S)-2-hydroxypropyl]amino]methyl]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 168723382
2-{[(3R*,4R*)-3-hydroxy-4-(hydroxymethyl)-1-piperidinyl]methyl}-8-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 56914899
2-[(1-Hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671632
2-[[(1-Hydroxy-2-methylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671993
2-[(2-Hydroxypropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672278
2-[[(2-Hydroxycyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62668790
2-[[[1-(Hydroxymethyl)cyclopentyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62668973
2-[[3-(Hydroxymethyl)pentan-3-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62669151
2-[[[1-(Hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62669152

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 106285136) is 2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CCC(CC)C(O)CNCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PQDHWXZSDMMMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-12(4-2)14(20)11-17-10-13-9-16(21)19-8-6-5-7-15(19)18-13/h5-9,12,14,17,20H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 106285136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).