4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid

C12H16N2O2 — CID 82372471

IUPAC4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(C2CCCC2)n1
InChIInChI=1S/C12H16N2O2/c1-7-10(12(15)16)11(14-8(2)13-7)9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,15,16)
InChIKeyDAXIYLTYEROMNQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.45
Rot. Bonds2

About 4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid

4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid (PubChem CID 82372471) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid
PubChem CID82372471
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(C2CCCC2)n1
InChIInChI=1S/C12H16N2O2/c1-7-10(12(15)16)11(14-8(2)13-7)9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,15,16)
InChIKeyDAXIYLTYEROMNQ-UHFFFAOYSA-N
XLogP2.45
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid (CID 82372471) is 4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid is Cc1nc(C)c(C(=O)O)c(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid?
The InChIKey is DAXIYLTYEROMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-10(12(15)16)11(14-8(2)13-7)9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid?
4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 82372471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).