2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C21H19N3O2 — CID 8755206

IUPAC2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN[C@H](c3ccccc3)c3ccco3)cc(=O)n2c1
InChIInChI=1S/C21H19N3O2/c1-15-9-10-19-23-17(12-20(25)24(19)14-15)13-22-21(18-8-5-11-26-18)16-6-3-2-4-7-16/h2-12,14,21-22H,13H2,1H3/t21-/m1/s1
InChIKeyQPLKMJVRZKSYPO-OAQYLSRUSA-N
MW345.40 g/mol
LogP3.48
Rot. Bonds5

About 2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 8755206) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID8755206
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN[C@H](c3ccccc3)c3ccco3)cc(=O)n2c1
InChIInChI=1S/C21H19N3O2/c1-15-9-10-19-23-17(12-20(25)24(19)14-15)13-22-21(18-8-5-11-26-18)16-6-3-2-4-7-16/h2-12,14,21-22H,13H2,1H3/t21-/m1/s1
InChIKeyQPLKMJVRZKSYPO-OAQYLSRUSA-N
XLogP3.48
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 8755206) is 2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN[C@H](c3ccccc3)c3ccco3)cc(=O)n2c1.
What is the InChIKey of 2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QPLKMJVRZKSYPO-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15-9-10-19-23-17(12-20(25)24(19)14-15)13-22-21(18-8-5-11-26-18)16-6-3-2-4-7-16/h2-12,14,21-22H,13H2,1H3/t21-/m1/s1.
What are the key properties of 2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 345.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8755206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).