ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate

C16H26N2O3 — CID 163374041

IUPACethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate
SMILESCC.CCOC(=O)C1CCC(c2cnc(OC)nc2)CC1
InChIInChI=1S/C14H20N2O3.C2H6/c1-3-19-13(17)11-6-4-10(5-7-11)12-8-15-14(18-2)16-9-12;1-2/h8-11H,3-7H2,1-2H3;1-2H3
InChIKeyUKUIDBZCJKHWCV-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.35
Rot. Bonds4

About ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate

ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate (PubChem CID 163374041) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate
PubChem CID163374041
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nameethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate
SMILESCC.CCOC(=O)C1CCC(c2cnc(OC)nc2)CC1
InChIInChI=1S/C14H20N2O3.C2H6/c1-3-19-13(17)11-6-4-10(5-7-11)12-8-15-14(18-2)16-9-12;1-2/h8-11H,3-7H2,1-2H3;1-2H3
InChIKeyUKUIDBZCJKHWCV-UHFFFAOYSA-N
XLogP3.35
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-Fluoropropyl)pyrimidin-2-yl]-2-[4-(3-oxopentyl)cyclohexyl]acetaldehyde
CID 88669370
Methyl 6-(2-fluoropyrimidin-5-yl)spiro[3.3]heptane-2-carboxylate
CID 166458226
Methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate
CID 167284590
[4-(2-Fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol
CID 167284602
Methyl 4-(2-fluoropyrimidin-5-yl)cyclohex-3-ene-1-carboxylate
CID 169894464
Ethyl 4-[3-(2-methoxypyrimidin-5-yl)oxetan-3-yl]butanoate
CID 138978630
Ethyl 3-(2-tert-butylpyrimidin-5-yl)-2,2-dimethylcyclopropane-1-carboxylate
CID 13532900
trans-ethyl (1R,3R)-3-(2-tert-butylpyrimidin-5-yl)-2,2-dimethylcyclopropane-1-carboxylate
CID 13532901
4-(5-Pentylpyrimidin-2-yl)cyclohexane-1-carboxylic acid
CID 13765522
Ethyl 3,3-dimethyl-2-[2-(1-methylcyclohexyl)pyrimidin-5-yl]butanoate
CID 14718714
(5-Hexylpyrimidin-2-yl) 4-pentoxycyclohexane-1-carboxylate
CID 20227002
(5-Hexylpyrimidin-2-yl) 4-butylcyclohexane-1-carboxylate
CID 20227010

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate?
The IUPAC name of ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate (CID 163374041) is ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate?
The canonical SMILES for ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate is CC.CCOC(=O)C1CCC(c2cnc(OC)nc2)CC1.
What is the InChIKey of ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate?
The InChIKey is UKUIDBZCJKHWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.C2H6/c1-3-19-13(17)11-6-4-10(5-7-11)12-8-15-14(18-2)16-9-12;1-2/h8-11H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate?
ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 163374041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).