4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid

C12H16N2O3 — CID 82389260

IUPAC4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid
SMILESCOc1ncnc(C2CCCCC2)c1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-17-11-9(12(15)16)10(13-7-14-11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyQSZPGGDZYCTSQB-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.23
Rot. Bonds3

About 4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid

4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid (PubChem CID 82389260) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid
PubChem CID82389260
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid
SMILESCOc1ncnc(C2CCCCC2)c1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-17-11-9(12(15)16)10(13-7-14-11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyQSZPGGDZYCTSQB-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid (CID 82389260) is 4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid is COc1ncnc(C2CCCCC2)c1C(=O)O.
What is the InChIKey of 4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid?
The InChIKey is QSZPGGDZYCTSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-11-9(12(15)16)10(13-7-14-11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid?
4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-methoxypyrimidine-5-carboxylic acid is sourced from PubChem (CID 82389260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).