2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C92H92N12O11 — CID 160502622

IUPAC2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)cc1.COc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)cc1OC.Cc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)cc1.Cc1ccn2c(=O)cc(CN(Cc3ccccc3)Cc3ccco3)nc2c1
InChIInChI=1S/C24H25N3O4.C23H23N3O3.C23H23N3O2.C22H21N3O2/c1-17-8-9-27-23(11-17)25-19(13-24(27)28)15-26(16-20-5-4-10-31-20)14-18-6-7-21(29-2)22(12-18)30-3;1-17-9-10-26-22(12-17)24-19(13-23(26)27)15-25(16-21-4-3-11-29-21)14-18-5-7-20(28-2)8-6-18;1-17-5-7-19(8-6-17)14-25(16-21-4-3-11-28-21)15-20-13-23(27)26-10-9-18(2)12-22(26)24-20;1-17-9-10-25-21(12-17)23-19(13-22(25)26)15-24(16-20-8-5-11-27-20)14-18-6-3-2-4-7-18/h4-13H,14-16H2,1-3H3;3-13H,14-16H2,1-2H3;3-13H,14-16H2,1-2H3;2-13H,14-16H2,1H3
InChIKeyQRZDKXSHFITQPR-UHFFFAOYSA-N
MW1541.82 g/mol
LogP15.53
Rot. Bonds27

About 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 160502622) has the molecular formula C92H92N12O11 and a molecular weight of 1541.82 g/mol. Its IUPAC name is 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID160502622
Molecular FormulaC92H92N12O11
Molecular Weight1541.82 g/mol
Exact Mass1540.70
IUPAC Name2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)cc1.COc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)cc1OC.Cc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)cc1.Cc1ccn2c(=O)cc(CN(Cc3ccccc3)Cc3ccco3)nc2c1
InChIInChI=1S/C24H25N3O4.C23H23N3O3.C23H23N3O2.C22H21N3O2/c1-17-8-9-27-23(11-17)25-19(13-24(27)28)15-26(16-20-5-4-10-31-20)14-18-6-7-21(29-2)22(12-18)30-3;1-17-9-10-26-22(12-17)24-19(13-23(26)27)15-25(16-21-4-3-11-29-21)14-18-5-7-20(28-2)8-6-18;1-17-5-7-19(8-6-17)14-25(16-21-4-3-11-28-21)15-20-13-23(27)26-10-9-18(2)12-22(26)24-20;1-17-9-10-25-21(12-17)23-19(13-22(25)26)15-24(16-20-8-5-11-27-20)14-18-6-3-2-4-7-18/h4-13H,14-16H2,1-3H3;3-13H,14-16H2,1-2H3;3-13H,14-16H2,1-2H3;2-13H,14-16H2,1H3
InChIKeyQRZDKXSHFITQPR-UHFFFAOYSA-N
XLogP15.53
TPSA230.69 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001541.82
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[(2,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(3-hydroxy-2,4-dimethoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxy-2-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 162009945
2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787975
2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787966
2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787902
7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357918
7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8841421
2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787885
2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 10730461
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-methylbutan-2-ol
CID 24713915
(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160909
7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357933

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 160502622) is 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)cc1.COc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)cc1OC.Cc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)cc1.Cc1ccn2c(=O)cc(CN(Cc3ccccc3)Cc3ccco3)nc2c1.
What is the InChIKey of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QRZDKXSHFITQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4.C23H23N3O3.C23H23N3O2.C22H21N3O2/c1-17-8-9-27-23(11-17)25-19(13-24(27)28)15-26(16-20-5-4-10-31-20)14-18-6-7-21(29-2)22(12-18)30-3;1-17-9-10-26-22(12-17)24-19(13-23(26)27)15-25(16-21-4-3-11-29-21)14-18-5-7-20(28-2)8-6-18;1-17-5-7-19(8-6-17)14-25(16-21-4-3-11-28-21)15-20-13-23(27)26-10-9-18(2)12-22(26)24-20;1-17-9-10-25-21(12-17)23-19(13-22(25)26)15-24(16-20-8-5-11-27-20)14-18-6-3-2-4-7-18/h4-13H,14-16H2,1-3H3;3-13H,14-16H2,1-2H3;3-13H,14-16H2,1-2H3;2-13H,14-16H2,1H3.
What are the key properties of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1541.82 g/mol, XLogP of 15.53, 27 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 160502622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).