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

C14H19N3O — CID 55104756

IUPAC2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H19N3O/c1-14(2,3)10-15-9-11-8-13(18)17-7-5-4-6-12(17)16-11/h4-8,15H,9-10H2,1-3H3
InChIKeyAKSAGPCREJPFEU-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.83
Rot. Bonds3

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

2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55104756) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55104756
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H19N3O/c1-14(2,3)10-15-9-11-8-13(18)17-7-5-4-6-12(17)16-11/h4-8,15H,9-10H2,1-3H3
InChIKeyAKSAGPCREJPFEU-UHFFFAOYSA-N
XLogP1.83
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide
CID 78915598
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-[(2,6-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-[(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-(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-[(3,4-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671061

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 55104756) is 2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is CC(C)(C)CNCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AKSAGPCREJPFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,3)10-15-9-11-8-13(18)17-7-5-4-6-12(17)16-11/h4-8,15H,9-10H2,1-3H3.
What are the key properties of 2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 245.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55104756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).