1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid

C13H19N3O3 — CID 79369719

IUPAC1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCCOc1ncnc(N2CCC(C(=O)O)C2C)c1C
InChIInChI=1S/C13H19N3O3/c1-4-19-12-8(2)11(14-7-15-12)16-6-5-10(9(16)3)13(17)18/h7,9-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyDMLKQGCTAIUWGG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.48
Rot. Bonds4

About 1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid

1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79369719) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79369719
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCCOc1ncnc(N2CCC(C(=O)O)C2C)c1C
InChIInChI=1S/C13H19N3O3/c1-4-19-12-8(2)11(14-7-15-12)16-6-5-10(9(16)3)13(17)18/h7,9-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyDMLKQGCTAIUWGG-UHFFFAOYSA-N
XLogP1.48
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 66325534
4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine
CID 66326377
[1-(6-ethoxy-5-methylpyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine
CID 66327192
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 79371898
2-[4-(6-ethoxy-5-methylpyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66434220
[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66327389
4-[4-(chloromethyl)piperidin-1-yl]-6-ethoxy-5-methylpyrimidine
CID 66326378
4-[2-(bromomethyl)piperidin-1-yl]-6-ethoxy-5-methylpyrimidine
CID 80675882
3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 107325218
2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 79371902
2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid
CID 66324707
4-hydroxy-1-(6-methoxy-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66333746

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid (CID 79369719) is 1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid is CCOc1ncnc(N2CCC(C(=O)O)C2C)c1C.
What is the InChIKey of 1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is DMLKQGCTAIUWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-19-12-8(2)11(14-7-15-12)16-6-5-10(9(16)3)13(17)18/h7,9-10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid?
1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79369719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).