4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid

C12H16N2O3 — CID 82389261

IUPAC4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
SMILESCOc1nc(C)nc(C2CCCC2)c1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-7-13-10(8-5-3-4-6-8)9(12(15)16)11(14-7)17-2/h8H,3-6H2,1-2H3,(H,15,16)
InChIKeyQGEJTGJCZJEIOM-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.15
Rot. Bonds3

About 4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid

4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid (PubChem CID 82389261) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
PubChem CID82389261
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
SMILESCOc1nc(C)nc(C2CCCC2)c1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-7-13-10(8-5-3-4-6-8)9(12(15)16)11(14-7)17-2/h8H,3-6H2,1-2H3,(H,15,16)
InChIKeyQGEJTGJCZJEIOM-UHFFFAOYSA-N
XLogP2.15
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate
CID 134975315
4-Ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 90091822
4-Ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 150000717
4-Cyclopropyl-6-methoxypyrimidine-5-carboxylic acid
CID 82401433
2-Cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
CID 87815027
2,4-Dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
CID 87977002
Acetyl 4-methoxy-2-methyl-6-piperidin-4-ylpyrimidine-5-carboxylate
CID 144611055
2-Amino-4-methoxy-6-piperidin-4-ylpyrimidine-5-carboxylic acid
CID 175897607
4-Cyclopentyl-2,6-dimethylpyrimidine-5-carboxylic acid
CID 82372471
4-Cyclohexyl-6-methoxypyrimidine-5-carboxylic acid
CID 82389260
4-Tert-butyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
CID 82391850
4-Cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
CID 82392231

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid (CID 82389261) is 4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid is COc1nc(C)nc(C2CCCC2)c1C(=O)O.
What is the InChIKey of 4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is QGEJTGJCZJEIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-13-10(8-5-3-4-6-8)9(12(15)16)11(14-7)17-2/h8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid?
4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 82389261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).