2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H21N3O — CID 92849825

IUPAC2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cc(=O)n2ccccc2n1)[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H21N3O/c1-22(18-10-6-8-15-7-2-3-9-17(15)18)14-16-13-20(24)23-12-5-4-11-19(23)21-16/h2-5,7,9,11-13,18H,6,8,10,14H2,1H3/t18-/m0/s1
InChIKeyDMZBMWUFDRSGIQ-SFHVURJKSA-N
MW319.41 g/mol
LogP3.20
Rot. Bonds3

About 2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 92849825) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID92849825
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cc(=O)n2ccccc2n1)[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H21N3O/c1-22(18-10-6-8-15-7-2-3-9-17(15)18)14-16-13-20(24)23-12-5-4-11-19(23)21-16/h2-5,7,9,11-13,18H,6,8,10,14H2,1H3/t18-/m0/s1
InChIKeyDMZBMWUFDRSGIQ-SFHVURJKSA-N
XLogP3.20
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 92863533
(1R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 41105580
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51250244
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 110881785
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18088842
2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42930399
2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62639822
2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671689
2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18087389
2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one
CID 135718756
2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62843274
N-[(4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134792918

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 92849825) is 2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(Cc1cc(=O)n2ccccc2n1)[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DMZBMWUFDRSGIQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N3O/c1-22(18-10-6-8-15-7-2-3-9-17(15)18)14-16-13-20(24)23-12-5-4-11-19(23)21-16/h2-5,7,9,11-13,18H,6,8,10,14H2,1H3/t18-/m0/s1.
What are the key properties of 2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 319.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 92849825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).