2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid

C11H14N2O3 — CID 107554645

IUPAC2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(OC2CCCC2)n1
InChIInChI=1S/C11H14N2O3/c1-7-6-9(10(14)15)13-11(12-7)16-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyVCQVBUBXVICNNS-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.80
Rot. Bonds3

About 2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid

2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107554645) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid
PubChem CID107554645
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(OC2CCCC2)n1
InChIInChI=1S/C11H14N2O3/c1-7-6-9(10(14)15)13-11(12-7)16-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,14,15)
InChIKeyVCQVBUBXVICNNS-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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Related Compounds

4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid
CID 81053389
6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
CID 55269383
4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine
CID 157254472
cyclohexyl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257735
2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid
CID 61004153
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122257837
2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122257743
6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid
CID 107554981
6-methyl-2-propoxypyrimidine-4-carboxylic acid
CID 55269382
3-(4,6-dimethylpyrimidin-2-yl)oxyazetidine-1-carboxylic acid
CID 67143904
ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 90634770
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554750

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid (CID 107554645) is 2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(OC2CCCC2)n1.
What is the InChIKey of 2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is VCQVBUBXVICNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-6-9(10(14)15)13-11(12-7)16-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid?
2-cyclopentyloxy-6-methylpyrimidine-4-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-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).