1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid

C13H19N3O2 — CID 63146887

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C13H19N3O2/c1-4-13(11(17)18)5-6-16(8-13)12-14-9(2)7-10(3)15-12/h7H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyGNGXILMIKKKSCF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.78
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid

1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63146887) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63146887
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C13H19N3O2/c1-4-13(11(17)18)5-6-16(8-13)12-14-9(2)7-10(3)15-12/h7H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyGNGXILMIKKKSCF-UHFFFAOYSA-N
XLogP1.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 655810
1-(4,6-Dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 650474
4-[(4,6-Dimethylpyrimidin-2-yl)amino]butanoic acid
CID 1617677
1-[(3S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]ethanone
CID 129524686
(3S,4S)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3,4-dimethylpyrrolidine-3-carboxylic acid
CID 138003003
(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 164632638
1-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 7017858
1-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 7017859
1-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-YL]methyl}-5-oxopyrrolidine-3-carboxylic acid
CID 50961027
1-(6-Methylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226893
1-(2,6-Dimethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708720
1-(4,6-Dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709448

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid (CID 63146887) is 1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(c2nc(C)cc(C)n2)C1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is GNGXILMIKKKSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-13(11(17)18)5-6-16(8-13)12-14-9(2)7-10(3)15-12/h7H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid?
1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).