[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate

C19H23N3O7 — CID 2570985

IUPAC[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2nc(OC)cc(OC)n2)cc1OCC
InChIInChI=1S/C19H23N3O7/c1-5-27-13-8-7-12(9-14(13)28-6-2)18(24)29-11-15(23)20-19-21-16(25-3)10-17(22-19)26-4/h7-10H,5-6,11H2,1-4H3,(H,20,21,22,23)
InChIKeyUFECTGKSFINHTM-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.09
Rot. Bonds10

About [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate

[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate (PubChem CID 2570985) has the molecular formula C19H23N3O7 and a molecular weight of 405.41 g/mol. Its IUPAC name is [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate.

Molecular Properties

Compound Name[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
PubChem CID2570985
Molecular FormulaC19H23N3O7
Molecular Weight405.41 g/mol
Exact Mass405.15
IUPAC Name[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2nc(OC)cc(OC)n2)cc1OCC
InChIInChI=1S/C19H23N3O7/c1-5-27-13-8-7-12(9-14(13)28-6-2)18(24)29-11-15(23)20-19-21-16(25-3)10-17(22-19)26-4/h7-10H,5-6,11H2,1-4H3,(H,20,21,22,23)
InChIKeyUFECTGKSFINHTM-UHFFFAOYSA-N
XLogP2.09
TPSA118.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate with MolForge

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Related Compounds

3-[(4,6-Dimethoxy-2-pyrimidinyl)oxy]-4-methoxybenzenecarbaldehyde
CID 3762410
Ethyl 4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzenecarboxylate
CID 3494146
Sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(4-ethoxycarbonylphenoxy)sulfonylazanide
CID 155516462
Methyl 4-(4,6-diethoxypyrimidin-2-yl)oxybenzoate
CID 172436025
[2-Oxo-2-(pyrimidin-2-ylamino)ethyl] 3,5-dimethoxybenzoate
CID 2362295
2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide
CID 71795721
N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide
CID 1147749
[2-[(4,6-Dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 24573253
Ethyl 4-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyloxy]benzoate
CID 155516463
Methyl 4-[2-oxo-2-(2-pyrimidinylamino)ethoxy]benzoate
CID 3129200
2-(4-acetyl-2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 71794803
2,4,6-Triaminopyrimidin-5-yl 3,4,5-trimethoxybenzoate
CID 606790

Frequently Asked Questions

What is the IUPAC name of [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The IUPAC name of [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate (CID 2570985) is [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate.
What is the SMILES notation for [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The canonical SMILES for [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)Nc2nc(OC)cc(OC)n2)cc1OCC.
What is the InChIKey of [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The InChIKey is UFECTGKSFINHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7/c1-5-27-13-8-7-12(9-14(13)28-6-2)18(24)29-11-15(23)20-19-21-16(25-3)10-17(22-19)26-4/h7-10H,5-6,11H2,1-4H3,(H,20,21,22,23).
What are the key properties of [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate has a molecular weight of 405.41 g/mol, XLogP of 2.09, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate is sourced from PubChem (CID 2570985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).