2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid

C11H14N2O3 — CID 23020222

IUPAC2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(OC2CCCC2)ncc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7-9(10(14)15)6-12-11(13-7)16-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyKIGOCJYHFWFCHD-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.80
Rot. Bonds3

About 2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid

2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid (PubChem CID 23020222) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid
PubChem CID23020222
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(OC2CCCC2)ncc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7-9(10(14)15)6-12-11(13-7)16-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyKIGOCJYHFWFCHD-UHFFFAOYSA-N
XLogP1.80
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid (CID 23020222) is 2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid is Cc1nc(OC2CCCC2)ncc1C(=O)O.
What is the InChIKey of 2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is KIGOCJYHFWFCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-9(10(14)15)6-12-11(13-7)16-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid?
2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 23020222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).