6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H23N3O — CID 126817460

IUPAC6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN(C)C(C)(C)c3ccccc3)cc(=O)n12
InChIInChI=1S/C20H23N3O/c1-15-9-8-12-18-21-17(13-19(24)23(15)18)14-22(4)20(2,3)16-10-6-5-7-11-16/h5-13H,14H2,1-4H3
InChIKeyJADFJIGZQPCUHY-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.37
Rot. Bonds4

About 6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 126817460) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID126817460
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN(C)C(C)(C)c3ccccc3)cc(=O)n12
InChIInChI=1S/C20H23N3O/c1-15-9-8-12-18-21-17(13-19(24)23(15)18)14-22(4)20(2,3)16-10-6-5-7-11-16/h5-13H,14H2,1-4H3
InChIKeyJADFJIGZQPCUHY-UHFFFAOYSA-N
XLogP3.37
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 126817460) is 6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN(C)C(C)(C)c3ccccc3)cc(=O)n12.
What is the InChIKey of 6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JADFJIGZQPCUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-9-8-12-18-21-17(13-19(24)23(15)18)14-22(4)20(2,3)16-10-6-5-7-11-16/h5-13H,14H2,1-4H3.
What are the key properties of 6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 321.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[methyl(2-phenylpropan-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 126817460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).