methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate

C12H15FN2O2 — CID 167284590

IUPACmethyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2cnc(F)nc2)CC1
InChIInChI=1S/C12H15FN2O2/c1-17-11(16)9-4-2-8(3-5-9)10-6-14-12(13)15-7-10/h6-9H,2-5H2,1H3
InChIKeyWBXFCNXIICVTRW-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.06
Rot. Bonds2

About methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate

methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate (PubChem CID 167284590) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate
PubChem CID167284590
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Namemethyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2cnc(F)nc2)CC1
InChIInChI=1S/C12H15FN2O2/c1-17-11(16)9-4-2-8(3-5-9)10-6-14-12(13)15-7-10/h6-9H,2-5H2,1H3
InChIKeyWBXFCNXIICVTRW-UHFFFAOYSA-N
XLogP2.06
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 70414147
1-[4-[1-Fluoro-2-(5-pentylpyrimidin-2-yl)ethyl]cyclohexyl]propan-1-one
CID 70445156
1-[4-[2-[5-(3-Fluoropropyl)pyrimidin-2-yl]acetyl]cyclohexyl]pentan-3-one
CID 70445648
4,4-Difluoro-1-(2-methylpyrimidin-5-yl)cyclohexanecarboxylic acid
CID 86716209
5,5-Difluoro-3-(2-methylpyrimidin-5-yl)nonanoic acid
CID 91149685
Methyl 6-(2-fluoropyrimidin-5-yl)spiro[3.3]heptane-2-carboxylate
CID 166458226
Methyl 2-(2-fluoropyrimidin-5-yl)spiro[3.3]hept-2-ene-6-carboxylate
CID 166458698
[4-(2-Fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol
CID 167284602
4-(2-Methylpyrimidin-5-yl)-4-[1-(trifluoromethyl)cyclopropyl]butanoic acid
CID 169694274
Methyl 4-(2-fluoropyrimidin-5-yl)cyclohex-3-ene-1-carboxylate
CID 169894464
Methyl 4-[[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]methyl]cyclohexane-1-carboxylate
CID 172581663
Ethyl 4-[3-(2-methoxypyrimidin-5-yl)oxetan-3-yl]butanoate
CID 138978630

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate (CID 167284590) is methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate is COC(=O)C1CCC(c2cnc(F)nc2)CC1.
What is the InChIKey of methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate?
The InChIKey is WBXFCNXIICVTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-17-11(16)9-4-2-8(3-5-9)10-6-14-12(13)15-7-10/h6-9H,2-5H2,1H3.
What are the key properties of methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate?
methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate has a molecular weight of 238.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 167284590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).