2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid

C15H21N3O2 — CID 107553733

IUPAC2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C15H21N3O2/c1-10-9-12(14(19)20)17-15(16-10)18-8-4-7-13(18)11-5-2-3-6-11/h9,11,13H,2-8H2,1H3,(H,19,20)
InChIKeyCBZUSJAONZQASE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.64
Rot. Bonds3

About 2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid

2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107553733) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
PubChem CID107553733
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C15H21N3O2/c1-10-9-12(14(19)20)17-15(16-10)18-8-4-7-13(18)11-5-2-3-6-11/h9,11,13H,2-8H2,1H3,(H,19,20)
InChIKeyCBZUSJAONZQASE-UHFFFAOYSA-N
XLogP2.64
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyridine-2-carboxylic acid
CID 102726689
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 82752709
2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 131107872
4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 81244532
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methylbenzoic acid
CID 102726702
4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 47299157
(2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
CID 26872050
2-(3-tert-butylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 107554334
2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid
CID 107554645
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid
CID 65321116
ethyl 1-(4-carbamothioyl-6-methylpyrimidin-2-yl)piperidine-2-carboxylate
CID 107546692
2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid
CID 107553797

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid (CID 107553733) is 2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(N2CCCC2C2CCCC2)n1.
What is the InChIKey of 2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is CBZUSJAONZQASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-9-12(14(19)20)17-15(16-10)18-8-4-7-13(18)11-5-2-3-6-11/h9,11,13H,2-8H2,1H3,(H,19,20).
What are the key properties of 2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid?
2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).