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

C16H23N3O2 — CID 167978114

IUPAC2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC(CC)(CCO)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H23N3O2/c1-3-16(4-2,8-10-20)17-12-13-11-15(21)19-9-6-5-7-14(19)18-13/h5-7,9,11,17,20H,3-4,8,10,12H2,1-2H3
InChIKeyIWBIUHYRIOZSKE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.73
Rot. Bonds7

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

2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 167978114) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID167978114
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC(CC)(CCO)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H23N3O2/c1-3-16(4-2,8-10-20)17-12-13-11-15(21)19-9-6-5-7-14(19)18-13/h5-7,9,11,17,20H,3-4,8,10,12H2,1-2H3
InChIKeyIWBIUHYRIOZSKE-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 83177884
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 103949942
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60702906
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide
CID 78915598
2-[[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 71986430
2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60688745
2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671462
2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671689

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 167978114) is 2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CCC(CC)(CCO)NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IWBIUHYRIOZSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-16(4-2,8-10-20)17-12-13-11-15(21)19-9-6-5-7-14(19)18-13/h5-7,9,11,17,20H,3-4,8,10,12H2,1-2H3.
What are the key properties of 2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167978114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).