diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate

C14H20N2O5 — CID 104573477

IUPACdiethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)c1nccc(OC(C)C)n1
InChIInChI=1S/C14H20N2O5/c1-5-19-13(17)11(14(18)20-6-2)12-15-8-7-10(16-12)21-9(3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyUJLGNMFCXPBWJI-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.47
Rot. Bonds7

About diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate

diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate (PubChem CID 104573477) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate
PubChem CID104573477
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Namediethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)c1nccc(OC(C)C)n1
InChIInChI=1S/C14H20N2O5/c1-5-19-13(17)11(14(18)20-6-2)12-15-8-7-10(16-12)21-9(3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyUJLGNMFCXPBWJI-UHFFFAOYSA-N
XLogP1.47
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid
CID 113428025
2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112635985
2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid
CID 175541249
diethyl 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedioate
CID 104573497
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-ethyl-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636787
ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate
CID 171865570
diethyl 2-[2-(dimethylamino)pyrimidin-4-yl]propanedioate
CID 104573510
2-(4-methoxypyrimidin-2-yl)pentan-3-one
CID 63549810
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112636247
N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 112636277
2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636067

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate?
The IUPAC name of diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate (CID 104573477) is diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate.
What is the SMILES notation for diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate?
The canonical SMILES for diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate is CCOC(=O)C(C(=O)OCC)c1nccc(OC(C)C)n1.
What is the InChIKey of diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate?
The InChIKey is UJLGNMFCXPBWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-5-19-13(17)11(14(18)20-6-2)12-15-8-7-10(16-12)21-9(3)4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate?
diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate has a molecular weight of 296.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate is sourced from PubChem (CID 104573477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).