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

C94H96N12O16 — CID 162009945

IUPAC2-[[(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
SMILESCOc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)c(OC)c1.COc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)c(OC)c1O.COc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)cc1O.COc1ccc(CN(Cc2cc(=O)n3ccccc3n2)Cc2ccco2)c(C)c1
InChIInChI=1S/C24H25N3O5.C24H25N3O4.C23H23N3O4.C23H23N3O3/c1-16-8-9-27-21(11-16)25-18(12-22(27)28)14-26(15-19-5-4-10-32-19)13-17-6-7-20(30-2)23(29)24(17)31-3;1-17-8-9-27-23(11-17)25-19(12-24(27)28)15-26(16-21-5-4-10-31-21)14-18-6-7-20(29-2)13-22(18)30-3;1-16-7-8-26-22(10-16)24-18(12-23(26)28)14-25(15-19-4-3-9-30-19)13-17-5-6-21(29-2)20(27)11-17;1-17-12-20(28-2)9-8-18(17)14-25(16-21-6-5-11-29-21)15-19-13-23(27)26-10-4-3-7-22(26)24-19/h4-12,29H,13-15H2,1-3H3;4-13H,14-16H2,1-3H3;3-12,27H,13-15H2,1-2H3;3-13H,14-16H2,1-2H3
InChIKeyYTILSBAOIORYSI-UHFFFAOYSA-N
MW1649.87 g/mol
LogP14.66
Rot. Bonds30

About 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

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 (PubChem CID 162009945) has the molecular formula C94H96N12O16 and a molecular weight of 1649.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[(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
PubChem CID162009945
Molecular FormulaC94H96N12O16
Molecular Weight1649.87 g/mol
Exact Mass1648.71
IUPAC Name2-[[(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
SMILESCOc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)c(OC)c1.COc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)c(OC)c1O.COc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)cc1O.COc1ccc(CN(Cc2cc(=O)n3ccccc3n2)Cc2ccco2)c(C)c1
InChIInChI=1S/C24H25N3O5.C24H25N3O4.C23H23N3O4.C23H23N3O3/c1-16-8-9-27-21(11-16)25-18(12-22(27)28)14-26(15-19-5-4-10-32-19)13-17-6-7-20(30-2)23(29)24(17)31-3;1-17-8-9-27-23(11-17)25-19(12-24(27)28)15-26(16-21-5-4-10-31-21)14-18-6-7-20(29-2)13-22(18)30-3;1-16-7-8-26-22(10-16)24-18(12-23(26)28)14-25(15-19-4-3-9-30-19)13-17-5-6-21(29-2)20(27)11-17;1-17-12-20(28-2)9-8-18(17)14-25(16-21-6-5-11-29-21)15-19-13-23(27)26-10-4-3-7-22(26)24-19/h4-12,29H,13-15H2,1-3H3;4-13H,14-16H2,1-3H3;3-12,27H,13-15H2,1-2H3;3-13H,14-16H2,1-2H3
InChIKeyYTILSBAOIORYSI-UHFFFAOYSA-N
XLogP14.66
TPSA298.84 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001649.87
LogP ≤ 514.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)c(OC)c1.COc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)c(OC)c1O.COc1ccc(CN(Cc2cc(=O)n3ccc(C)cc3n2)Cc2ccco2)cc1O.COc1ccc(CN(Cc2cc(=O)n3ccccc3n2)Cc2ccco2)c(C)c1.
What is the InChIKey of 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?
The InChIKey is YTILSBAOIORYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5.C24H25N3O4.C23H23N3O4.C23H23N3O3/c1-16-8-9-27-21(11-16)25-18(12-22(27)28)14-26(15-19-5-4-10-32-19)13-17-6-7-20(30-2)23(29)24(17)31-3;1-17-8-9-27-23(11-17)25-19(12-24(27)28)15-26(16-21-5-4-10-31-21)14-18-6-7-20(29-2)13-22(18)30-3;1-16-7-8-26-22(10-16)24-18(12-23(26)28)14-25(15-19-4-3-9-30-19)13-17-5-6-21(29-2)20(27)11-17;1-17-12-20(28-2)9-8-18(17)14-25(16-21-6-5-11-29-21)15-19-13-23(27)26-10-4-3-7-22(26)24-19/h4-12,29H,13-15H2,1-3H3;4-13H,14-16H2,1-3H3;3-12,27H,13-15H2,1-2H3;3-13H,14-16H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1649.87 g/mol, XLogP of 14.66, 30 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162009945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).