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

C17H17N3O — CID 60671040

IUPAC2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCCc2ccccc2)nc2ccccn12
InChIInChI=1S/C17H17N3O/c21-17-12-15(19-16-8-4-5-11-20(16)17)13-18-10-9-14-6-2-1-3-7-14/h1-8,11-12,18H,9-10,13H2
InChIKeyRKMWGWSHOFZRLS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.03
Rot. Bonds5

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

2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60671040) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60671040
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCCc2ccccc2)nc2ccccn12
InChIInChI=1S/C17H17N3O/c21-17-12-15(19-16-8-4-5-11-20(16)17)13-18-10-9-14-6-2-1-3-7-14/h1-8,11-12,18H,9-10,13H2
InChIKeyRKMWGWSHOFZRLS-UHFFFAOYSA-N
XLogP2.03
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.03
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-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106104512
2-[(2-thiophen-2-ylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47010953
2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60673235
2-[(3-methylsulfonylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670048
2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea
CID 83121210
2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106429069
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 82881777
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 103605665
2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62843274

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60671040) is 2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNCCc2ccccc2)nc2ccccn12.
What is the InChIKey of 2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RKMWGWSHOFZRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-17-12-15(19-16-8-4-5-11-20(16)17)13-18-10-9-14-6-2-1-3-7-14/h1-8,11-12,18H,9-10,13H2.
What are the key properties of 2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 279.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60671040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).