4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine

C15H23ClN2O — CID 63735699

IUPAC4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine
SMILESCc1nc(Cl)c(C)c(OC2CC(C)CC(C)(C)C2)n1
InChIInChI=1S/C15H23ClN2O/c1-9-6-12(8-15(4,5)7-9)19-14-10(2)13(16)17-11(3)18-14/h9,12H,6-8H2,1-5H3
InChIKeyGKBMDZUAWFCHDC-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.34
Rot. Bonds2

About 4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine

4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine (PubChem CID 63735699) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine
PubChem CID63735699
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine
SMILESCc1nc(Cl)c(C)c(OC2CC(C)CC(C)(C)C2)n1
InChIInChI=1S/C15H23ClN2O/c1-9-6-12(8-15(4,5)7-9)19-14-10(2)13(16)17-11(3)18-14/h9,12H,6-8H2,1-5H3
InChIKeyGKBMDZUAWFCHDC-UHFFFAOYSA-N
XLogP4.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
The IUPAC name of 4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine (CID 63735699) is 4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine is Cc1nc(Cl)c(C)c(OC2CC(C)CC(C)(C)C2)n1.
What is the InChIKey of 4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
The InChIKey is GKBMDZUAWFCHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-9-6-12(8-15(4,5)7-9)19-14-10(2)13(16)17-11(3)18-14/h9,12H,6-8H2,1-5H3.
What are the key properties of 4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine has a molecular weight of 282.81 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 63735699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).