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

C16H18N4O6 — CID 2116735

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H18N4O6/c1-4-25-13-9(6-5-7-18-13)15(23)26-8-10(21)11-12(17)19(2)16(24)20(3)14(11)22/h5-7H,4,8,17H2,1-3H3
InChIKeySOGXPEFFPKVBKB-UHFFFAOYSA-N
MW362.34 g/mol
LogP-0.50
Rot. Bonds6

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

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2116735) has the molecular formula C16H18N4O6 and a molecular weight of 362.34 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2116735
Molecular FormulaC16H18N4O6
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H18N4O6/c1-4-25-13-9(6-5-7-18-13)15(23)26-8-10(21)11-12(17)19(2)16(24)20(3)14(11)22/h5-7H,4,8,17H2,1-3H3
InChIKeySOGXPEFFPKVBKB-UHFFFAOYSA-N
XLogP-0.50
TPSA135.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2346507
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2419067
[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2467378
[1-(4-Ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 4215262
[1-(4-Morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 5035879
Sdccgsbi-0661853.P001
CID 2356475
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2575709
[1-(Cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 4881814
[2-(Cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2343997
Phenacyl 2-ethoxypyridine-3-carboxylate
CID 2346574
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2352452
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(3-methylbutyl)pyridine-3-carboxamide
CID 2529161

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 2116735) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=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] 2-ethoxypyridine-3-carboxylate?
The InChIKey is SOGXPEFFPKVBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O6/c1-4-25-13-9(6-5-7-18-13)15(23)26-8-10(21)11-12(17)19(2)16(24)20(3)14(11)22/h5-7H,4,8,17H2,1-3H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 362.34 g/mol, XLogP of -0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 10 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] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2116735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).