2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C16H21N3O — CID 60977019

IUPAC2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCCC2CCCC2)nc2ccccn12
InChIInChI=1S/C16H21N3O/c20-16-11-14(18-15-7-3-4-10-19(15)16)12-17-9-8-13-5-1-2-6-13/h3-4,7,10-11,13,17H,1-2,5-6,8-9,12H2
InChIKeyIMYMHPZBVWBZOG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.36
Rot. Bonds5

About 2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60977019) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60977019
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCCC2CCCC2)nc2ccccn12
InChIInChI=1S/C16H21N3O/c20-16-11-14(18-15-7-3-4-10-19(15)16)12-17-9-8-13-5-1-2-6-13/h3-4,7,10-11,13,17H,1-2,5-6,8-9,12H2
InChIKeyIMYMHPZBVWBZOG-UHFFFAOYSA-N
XLogP2.36
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 7217022
N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide
CID 44782707
N-{2-Methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}-2-propylpentanamide
CID 7217028
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide
CID 16799358
2-cyclopentyl-N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 16799376
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide
CID 16799387
N-(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide
CID 18566216
N-{7-chloro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyclopentylacetamide
CID 22580007
N-{2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-propylpentanamide
CID 44009949
N-{2,9-Dimethyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}-2-propylpentanamide
CID 44009985
2-[(Cyclohexylmethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 121385074
7-bromo-2-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8300076

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60977019) is 2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNCCC2CCCC2)nc2ccccn12.
What is the InChIKey of 2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IMYMHPZBVWBZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-11-14(18-15-7-3-4-10-19(15)16)12-17-9-8-13-5-1-2-6-13/h3-4,7,10-11,13,17H,1-2,5-6,8-9,12H2.
What are the key properties of 2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60977019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).