[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

C28H27N5O5 — CID 24687431

IUPAC[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C28H27N5O5/c1-32(24-25(29)33(28(37)31-26(24)35)15-17-9-3-2-4-10-17)22(34)16-38-27(36)23-18-11-5-7-13-20(18)30-21-14-8-6-12-19(21)23/h2-5,7,9-11,13H,6,8,12,14-16,29H2,1H3,(H,31,35,37)
InChIKeyNHCAEXFIEVDPMV-UHFFFAOYSA-N
MW513.55 g/mol
LogP2.41
Rot. Bonds6

About [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 24687431) has the molecular formula C28H27N5O5 and a molecular weight of 513.55 g/mol. Its IUPAC name is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID24687431
Molecular FormulaC28H27N5O5
Molecular Weight513.55 g/mol
Exact Mass513.20
IUPAC Name[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C28H27N5O5/c1-32(24-25(29)33(28(37)31-26(24)35)15-17-9-3-2-4-10-17)22(34)16-38-27(36)23-18-11-5-7-13-20(18)30-21-14-8-6-12-19(21)23/h2-5,7,9-11,13H,6,8,12,14-16,29H2,1H3,(H,31,35,37)
InChIKeyNHCAEXFIEVDPMV-UHFFFAOYSA-N
XLogP2.41
TPSA140.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.55
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 24687431) is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is CN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is NHCAEXFIEVDPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O5/c1-32(24-25(29)33(28(37)31-26(24)35)15-17-9-3-2-4-10-17)22(34)16-38-27(36)23-18-11-5-7-13-20(18)30-21-14-8-6-12-19(21)23/h2-5,7,9-11,13H,6,8,12,14-16,29H2,1H3,(H,31,35,37).
What are the key properties of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 513.55 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 24687431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).