[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate

C20H19N3O6 — CID 3302100

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C20H19N3O6/c1-22-17(21)16(18(25)23(2)20(22)27)14(24)10-29-19(26)13-8-11-6-4-5-7-12(11)9-15(13)28-3/h4-9H,10,21H2,1-3H3
InChIKeyYPDWRRZZPYFGTQ-UHFFFAOYSA-N
MW397.39 g/mol
LogP0.87
Rot. Bonds5

About [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate (PubChem CID 3302100) has the molecular formula C20H19N3O6 and a molecular weight of 397.39 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
PubChem CID3302100
Molecular FormulaC20H19N3O6
Molecular Weight397.39 g/mol
Exact Mass397.13
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C20H19N3O6/c1-22-17(21)16(18(25)23(2)20(22)27)14(24)10-29-19(26)13-8-11-6-4-5-7-12(11)9-15(13)28-3/h4-9H,10,21H2,1-3H3
InChIKeyYPDWRRZZPYFGTQ-UHFFFAOYSA-N
XLogP0.87
TPSA122.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate with MolForge

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Related Compounds

[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2362720
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(4-acetyloxyphenyl)benzoate
CID 2480373
3-Methoxy-2-naphthalenecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester
CID 2347973
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 24687688
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 24982651
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 25162592
[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2083979
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate
CID 2483010
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2478982
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 24980648
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-2-ethoxynaphthalene-1-carboxamide
CID 2148451
Ethyl 13-methyl-14,18-dioxo-11-oxa-13-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaene-15-carboxylate
CID 334559

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate (CID 3302100) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate is COc1cc2ccccc2cc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The InChIKey is YPDWRRZZPYFGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6/c1-22-17(21)16(18(25)23(2)20(22)27)14(24)10-29-19(26)13-8-11-6-4-5-7-12(11)9-15(13)28-3/h4-9H,10,21H2,1-3H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate has a molecular weight of 397.39 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 3302100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).