6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid

C12H16N2O2 — CID 83822396

IUPAC6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid
SMILESCc1nc(C(=O)O)cc(C2CCCCC2)n1
InChIInChI=1S/C12H16N2O2/c1-8-13-10(7-11(14-8)12(15)16)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,15,16)
InChIKeyGXGDRGPFOARWNU-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.53
Rot. Bonds2

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

6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid (PubChem CID 83822396) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid
PubChem CID83822396
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid
SMILESCc1nc(C(=O)O)cc(C2CCCCC2)n1
InChIInChI=1S/C12H16N2O2/c1-8-13-10(7-11(14-8)12(15)16)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,15,16)
InChIKeyGXGDRGPFOARWNU-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid (CID 83822396) is 6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid is Cc1nc(C(=O)O)cc(C2CCCCC2)n1.
What is the InChIKey of 6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid?
The InChIKey is GXGDRGPFOARWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-13-10(7-11(14-8)12(15)16)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,15,16).
What are the key properties of 6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid?
6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83822396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).