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

C12H15N3O — CID 60671768

IUPAC2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H15N3O/c1-2-6-13-9-10-8-12(16)15-7-4-3-5-11(15)14-10/h3-5,7-8,13H,2,6,9H2,1H3
InChIKeyHCAODDOPMKKCLQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.19
Rot. Bonds4

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

2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60671768) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID60671768
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H15N3O/c1-2-6-13-9-10-8-12(16)15-7-4-3-5-11(15)14-10/h3-5,7-8,13H,2,6,9H2,1H3
InChIKeyHCAODDOPMKKCLQ-UHFFFAOYSA-N
XLogP1.19
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.19
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-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671040
2-[(3-methylsulfonylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670048
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106104512
2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea
CID 83121210
2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60673235
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-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106429069
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60702906
2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 103605665

Frequently Asked Questions

What is the IUPAC name of 2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 60671768) is 2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one is CCCNCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HCAODDOPMKKCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-6-13-9-10-8-12(16)15-7-4-3-5-11(15)14-10/h3-5,7-8,13H,2,6,9H2,1H3.
What are the key properties of 2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60671768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).