1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid

C13H19N3O3 — CID 136959737

IUPAC1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H19N3O3/c1-3-5-13(12(18)19)6-4-7-16(13)10-8-11(17)15-9(2)14-10/h8H,3-7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyOLMKNQPXOWBIHS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.30
Rot. Bonds4

About 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid

1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 136959737) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID136959737
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H19N3O3/c1-3-5-13(12(18)19)6-4-7-16(13)10-8-11(17)15-9(2)14-10/h8H,3-7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyOLMKNQPXOWBIHS-UHFFFAOYSA-N
XLogP1.30
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246
2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 137015939
1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977692
1-(4,6-dimethoxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977561
2-propyl-1-pyrido[2,3-b]pyrazin-6-ylpyrrolidine-2-carboxylic acid
CID 106977674
2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid
CID 106977590
1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977706
4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 137015803
1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977589
1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977559
2-propyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxylic acid
CID 106977510
2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 83070640

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid (CID 136959737) is 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is OLMKNQPXOWBIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-5-13(12(18)19)6-4-7-16(13)10-8-11(17)15-9(2)14-10/h8H,3-7H2,1-2H3,(H,18,19)(H,14,15,17).
What are the key properties of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136959737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).