9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C14H19N3O2 — CID 121384996

IUPAC9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCCNCc1cc(=O)n2cccc(O)c2n1
InChIInChI=1S/C14H19N3O2/c1-2-3-4-7-15-10-11-9-13(19)17-8-5-6-12(18)14(17)16-11/h5-6,8-9,15,18H,2-4,7,10H2,1H3
InChIKeyXULDKEOAMGPLBV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.68
Rot. Bonds6

About 9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 121384996) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID121384996
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCCNCc1cc(=O)n2cccc(O)c2n1
InChIInChI=1S/C14H19N3O2/c1-2-3-4-7-15-10-11-9-13(19)17-8-5-6-12(18)14(17)16-11/h5-6,8-9,15,18H,2-4,7,10H2,1H3
InChIKeyXULDKEOAMGPLBV-UHFFFAOYSA-N
XLogP1.68
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-Hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 796646
Cambridge id 5786314
CID 870036
9-hydroxy-2-methyl-4-oxo-1H,4H-pyrido[1,2-a]pyrimidin-5-ium
CID 796724
N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 10751337
2-[[(2-Hydroxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 65106304
9-Hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one
CID 89063245
Hydron;9-hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;chloride
CID 121379171
9-Hydroxy-2-[(2-methylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 121379172
2-[(Cyclohexylamino)methyl]-9-hydroxy-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 121384876
9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 121384929
2-[[Amino(octyl)amino]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 121384940
9-Hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 121384944

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 121384996) is 9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is CCCCCNCc1cc(=O)n2cccc(O)c2n1.
What is the InChIKey of 9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XULDKEOAMGPLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-3-4-7-15-10-11-9-13(19)17-8-5-6-12(18)14(17)16-11/h5-6,8-9,15,18H,2-4,7,10H2,1H3.
What are the key properties of 9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 261.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-[(pentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121384996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).