2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine

C16H25ClN2O — CID 80973395

IUPAC2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1OC1CCCCC1C
InChIInChI=1S/C16H25ClN2O/c1-10-8-6-7-9-12(10)20-14-11(2)13(17)18-15(19-14)16(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyDYJAWMJPQWTWMY-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.69
Rot. Bonds2

About 2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine

2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine (PubChem CID 80973395) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine
PubChem CID80973395
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1OC1CCCCC1C
InChIInChI=1S/C16H25ClN2O/c1-10-8-6-7-9-12(10)20-14-11(2)13(17)18-15(19-14)16(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyDYJAWMJPQWTWMY-UHFFFAOYSA-N
XLogP4.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine (CID 80973395) is 2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine is Cc1c(Cl)nc(C(C)(C)C)nc1OC1CCCCC1C.
What is the InChIKey of 2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine?
The InChIKey is DYJAWMJPQWTWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-10-8-6-7-9-12(10)20-14-11(2)13(17)18-15(19-14)16(3,4)5/h10,12H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine?
2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine has a molecular weight of 296.84 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 80973395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).