1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid

C16H25N3O2 — CID 63147210

IUPAC1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2cc(C)nc(C(C)C)n2)C1
InChIInChI=1S/C16H25N3O2/c1-5-6-16(15(20)21)7-8-19(10-16)13-9-12(4)17-14(18-13)11(2)3/h9,11H,5-8,10H2,1-4H3,(H,20,21)
InChIKeyLOHXUIPIJPTVCN-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.99
Rot. Bonds5

About 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid

1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63147210) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63147210
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2cc(C)nc(C(C)C)n2)C1
InChIInChI=1S/C16H25N3O2/c1-5-6-16(15(20)21)7-8-19(10-16)13-9-12(4)17-14(18-13)11(2)3/h9,11H,5-8,10H2,1-4H3,(H,20,21)
InChIKeyLOHXUIPIJPTVCN-UHFFFAOYSA-N
XLogP2.99
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-4-propylpiperidine-4-carboxylic acid
CID 65270420
1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63146887
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol
CID 80702341
1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 64829459
2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
CID 102658053
1-(2-carbamoyl-4-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147166
3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115973046
1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65417525
1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166350
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80959385
1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65064430
1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450378

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid (CID 63147210) is 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(c2cc(C)nc(C(C)C)n2)C1.
What is the InChIKey of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is LOHXUIPIJPTVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-6-16(15(20)21)7-8-19(10-16)13-9-12(4)17-14(18-13)11(2)3/h9,11H,5-8,10H2,1-4H3,(H,20,21).
What are the key properties of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid?
1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 291.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).