5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine

C13H20N2O — CID 162165542

IUPAC5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine
SMILESCCc1cnc(O[C@H]2CCCC[C@H]2C)nc1
InChIInChI=1S/C13H20N2O/c1-3-11-8-14-13(15-9-11)16-12-7-5-4-6-10(12)2/h8-10,12H,3-7H2,1-2H3/t10-,12+/m1/s1
InChIKeyZNBOZJPHIAYWNQ-PWSUYJOCSA-N
MW220.32 g/mol
LogP3.00
Rot. Bonds3

About 5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine

5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine (PubChem CID 162165542) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine
PubChem CID162165542
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine
SMILESCCc1cnc(O[C@H]2CCCC[C@H]2C)nc1
InChIInChI=1S/C13H20N2O/c1-3-11-8-14-13(15-9-11)16-12-7-5-4-6-10(12)2/h8-10,12H,3-7H2,1-2H3/t10-,12+/m1/s1
InChIKeyZNBOZJPHIAYWNQ-PWSUYJOCSA-N
XLogP3.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine?
The IUPAC name of 5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine (CID 162165542) is 5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine.
What is the SMILES notation for 5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine?
The canonical SMILES for 5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine is CCc1cnc(O[C@H]2CCCC[C@H]2C)nc1.
What is the InChIKey of 5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine?
The InChIKey is ZNBOZJPHIAYWNQ-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-11-8-14-13(15-9-11)16-12-7-5-4-6-10(12)2/h8-10,12H,3-7H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of 5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine?
5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine has a molecular weight of 220.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine is sourced from PubChem (CID 162165542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).