methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate

C13H18N2O2 — CID 116895236

IUPACmethyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(C2CCCCC2)n1
InChIInChI=1S/C13H18N2O2/c1-9-8-11(10-6-4-3-5-7-10)15-12(14-9)13(16)17-2/h8,10H,3-7H2,1-2H3
InChIKeyYVDBWQGMPUTVML-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.62
Rot. Bonds2

About methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate

methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate (PubChem CID 116895236) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate
PubChem CID116895236
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(C2CCCCC2)n1
InChIInChI=1S/C13H18N2O2/c1-9-8-11(10-6-4-3-5-7-10)15-12(14-9)13(16)17-2/h8,10H,3-7H2,1-2H3
InChIKeyYVDBWQGMPUTVML-UHFFFAOYSA-N
XLogP2.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate (CID 116895236) is methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(C2CCCCC2)n1.
What is the InChIKey of methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate?
The InChIKey is YVDBWQGMPUTVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-8-11(10-6-4-3-5-7-10)15-12(14-9)13(16)17-2/h8,10H,3-7H2,1-2H3.
What are the key properties of methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate?
methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 116895236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).