ethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine

C16H28N2O — CID 176690931

IUPACethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine
SMILESCC.CCc1cc(OC2CCC(C)CC2)nc(C)n1
InChIInChI=1S/C14H22N2O.C2H6/c1-4-12-9-14(16-11(3)15-12)17-13-7-5-10(2)6-8-13;1-2/h9-10,13H,4-8H2,1-3H3;1-2H3
InChIKeyJOJUFWJKHGKVOQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.33
Rot. Bonds3

About ethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine

ethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine (PubChem CID 176690931) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Nameethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine
PubChem CID176690931
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Nameethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine
SMILESCC.CCc1cc(OC2CCC(C)CC2)nc(C)n1
InChIInChI=1S/C14H22N2O.C2H6/c1-4-12-9-14(16-11(3)15-12)17-13-7-5-10(2)6-8-13;1-2/h9-10,13H,4-8H2,1-3H3;1-2H3
InChIKeyJOJUFWJKHGKVOQ-UHFFFAOYSA-N
XLogP4.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine?
The IUPAC name of ethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine (CID 176690931) is ethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine.
What is the SMILES notation for ethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine?
The canonical SMILES for ethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine is CC.CCc1cc(OC2CCC(C)CC2)nc(C)n1.
What is the InChIKey of ethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine?
The InChIKey is JOJUFWJKHGKVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.C2H6/c1-4-12-9-14(16-11(3)15-12)17-13-7-5-10(2)6-8-13;1-2/h9-10,13H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine?
ethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine has a molecular weight of 264.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-2-methyl-6-(4-methylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 176690931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).