methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate

C15H22N2O2 — CID 116901356

IUPACmethyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nccc(C2CCCCC2)n1
InChIInChI=1S/C15H22N2O2/c1-15(2,14(18)19-3)13-16-10-9-12(17-13)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyVNPFWHUAMFSSDM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.97
Rot. Bonds3

About methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate

methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate (PubChem CID 116901356) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate
PubChem CID116901356
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nccc(C2CCCCC2)n1
InChIInChI=1S/C15H22N2O2/c1-15(2,14(18)19-3)13-16-10-9-12(17-13)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyVNPFWHUAMFSSDM-UHFFFAOYSA-N
XLogP2.97
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid
CID 116899904
2-(4-cyclobutylpyrimidin-2-yl)propan-2-amine
CID 116897705
2-tert-butyl-4-cyclopropylpyrimidine
CID 58088107
methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate
CID 116901354
tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate
CID 103278680
4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
CID 63342955
4-cyclopentyl-2-methylsulfanylpyrimidine
CID 70073291
methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate
CID 116972034
4-(4-cyclopentylpyrimidin-2-yl)benzoic acid
CID 116900125
3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide
CID 56870578
methyl 2-(5-cyclobutyl-1H-imidazol-2-yl)-2-methylpropanoate
CID 116880499
(4-cyclopentylpyrimidin-2-yl)methanol
CID 116899510

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate (CID 116901356) is methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate is COC(=O)C(C)(C)c1nccc(C2CCCCC2)n1.
What is the InChIKey of methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate?
The InChIKey is VNPFWHUAMFSSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,14(18)19-3)13-16-10-9-12(17-13)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate?
methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate has a molecular weight of 262.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate is sourced from PubChem (CID 116901356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).