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

C13H19N3O3 — CID 66325534

IUPAC1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCOc1ncnc(N2CC(C)C(C(=O)O)C2)c1C
InChIInChI=1S/C13H19N3O3/c1-4-19-12-9(3)11(14-7-15-12)16-5-8(2)10(6-16)13(17)18/h7-8,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyJUQXFZKYGUASCM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.34
Rot. Bonds4

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

1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 66325534) 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)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID66325534
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCOc1ncnc(N2CC(C)C(C(=O)O)C2)c1C
InChIInChI=1S/C13H19N3O3/c1-4-19-12-9(3)11(14-7-15-12)16-5-8(2)10(6-16)13(17)18/h7-8,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyJUQXFZKYGUASCM-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369719
2-[4-(6-ethoxy-5-methylpyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66434220
4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine
CID 66326377
3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 107325218
[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
2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid
CID 66324707
4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
CID 66331134
[1-(6-ethoxy-5-methylpyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine
CID 66327192
2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66332132
4-hydroxy-1-(6-methoxy-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66333746
[1-(6-methoxy-5-methylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 66325530

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid (CID 66325534) is 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid is CCOc1ncnc(N2CC(C)C(C(=O)O)C2)c1C.
What is the InChIKey of 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JUQXFZKYGUASCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-19-12-9(3)11(14-7-15-12)16-5-8(2)10(6-16)13(17)18/h7-8,10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.34, 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)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66325534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).