methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate

C14H20N2O2 — CID 172581610

IUPACmethyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Cc2cnc(C)nc2)CC1
InChIInChI=1S/C14H20N2O2/c1-10-15-8-12(9-16-10)7-11-3-5-13(6-4-11)14(17)18-2/h8-9,11,13H,3-7H2,1-2H3
InChIKeyBNAQLNWUTMLNGZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.31
Rot. Bonds3

About methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate

methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate (PubChem CID 172581610) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate
PubChem CID172581610
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Cc2cnc(C)nc2)CC1
InChIInChI=1S/C14H20N2O2/c1-10-15-8-12(9-16-10)7-11-3-5-13(6-4-11)14(17)18-2/h8-9,11,13H,3-7H2,1-2H3
InChIKeyBNAQLNWUTMLNGZ-UHFFFAOYSA-N
XLogP2.31
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate
CID 172581879
methyl 4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate
CID 172581583
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
methyl 4-(bromomethyl)cyclohexane-1-carboxylate
CID 19688454
methyl 4-[(3-cyano-4-fluorophenyl)methyl]cyclohexane-1-carboxylate
CID 172582169
methyl 4-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylate
CID 59134632
methyl 4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylate
CID 141310856
methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate
CID 58509473
methyl 4-[2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 70376540
methyl 4-(nitrosomethyl)cyclohexane-1-carboxylate
CID 123916725
methyl 4-fluorocyclohexane-1-carboxylate
CID 21281592
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate (CID 172581610) is methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(Cc2cnc(C)nc2)CC1.
What is the InChIKey of methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate?
The InChIKey is BNAQLNWUTMLNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-15-8-12(9-16-10)7-11-3-5-13(6-4-11)14(17)18-2/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate?
methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methylpyrimidin-5-yl)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 172581610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).