2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid

C14H20N2O2 — CID 116899904

IUPAC2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1nccc(C2CCCCC2)n1
InChIInChI=1S/C14H20N2O2/c1-14(2,13(17)18)12-15-9-8-11(16-12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeySLBOELQENWEJAG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid

2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid (PubChem CID 116899904) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid
PubChem CID116899904
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1nccc(C2CCCCC2)n1
InChIInChI=1S/C14H20N2O2/c1-14(2,13(17)18)12-15-9-8-11(16-12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeySLBOELQENWEJAG-UHFFFAOYSA-N
XLogP2.89
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate
CID 116901356
2-(4-cyclobutylpyrimidin-2-yl)propan-2-amine
CID 116897705
2-tert-butyl-4-cyclopropylpyrimidine
CID 58088107
4-(4-cyclopentylpyrimidin-2-yl)benzoic acid
CID 116900125
4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
CID 63342955
(4-cyclopentylpyrimidin-2-yl)methanol
CID 116899510
4-cyclopentyl-2-methylsulfanylpyrimidine
CID 70073291
2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid
CID 116902314
tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate
CID 103278680
2-(4-cyclohexylpyrimidin-2-yl)ethanol
CID 116899631
3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide
CID 56870578
4-(4-cyclobutylpyrimidin-2-yl)butan-2-one
CID 116901689

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid (CID 116899904) is 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1nccc(C2CCCCC2)n1.
What is the InChIKey of 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid?
The InChIKey is SLBOELQENWEJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,13(17)18)12-15-9-8-11(16-12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid?
2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 116899904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).