2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine

C14H21ClN2O — CID 79076530

IUPAC2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine
SMILESCc1cnc(Cl)nc1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C14H21ClN2O/c1-9-5-11(7-14(3,4)6-9)18-12-10(2)8-16-13(15)17-12/h8-9,11H,5-7H2,1-4H3
InChIKeyWMAWJNLAWVMVJW-UHFFFAOYSA-N
MW268.79 g/mol
LogP4.03
Rot. Bonds2

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

2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine (PubChem CID 79076530) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine
PubChem CID79076530
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine
SMILESCc1cnc(Cl)nc1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C14H21ClN2O/c1-9-5-11(7-14(3,4)6-9)18-12-10(2)8-16-13(15)17-12/h8-9,11H,5-7H2,1-4H3
InChIKeyWMAWJNLAWVMVJW-UHFFFAOYSA-N
XLogP4.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-fluoro-4-(1,1,1-trifluoro-3-methylheptan-2-yl)oxypyrimidine
CID 89060361
2-Chloro-5-fluoro-4-(1,1,1-trifluoro-3-methylhexan-2-yl)oxypyrimidine
CID 89209784
2-Chloro-5-fluoro-4-[2,2,2-trifluoro-1-(1-methylcycloundecyl)ethoxy]pyrimidine
CID 91315056
2-Chloro-5-fluoro-4-[2,2,2-trifluoro-1-(1-methylcyclododecyl)ethoxy]pyrimidine
CID 123385463
2-Chloro-5-fluoro-4-[2,2,2-trifluoro-1-(1-methylcyclodecyl)ethoxy]pyrimidine
CID 135129080
4-[2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxy-1-methylcyclohexan-1-ol
CID 171099484
2-Chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine
CID 79080781
2-Chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine
CID 79080865
2-Chloro-4-(3-ethylcyclohexyl)oxy-5-fluoropyrimidine
CID 79080964
2-Chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine
CID 79081054
2-Chloro-4-(3,5-dimethylcyclohexyl)oxy-5-fluoropyrimidine
CID 79081056
2-Chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine
CID 79081131

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine (CID 79076530) is 2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine is Cc1cnc(Cl)nc1OC1CC(C)CC(C)(C)C1.
What is the InChIKey of 2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
The InChIKey is WMAWJNLAWVMVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9-5-11(7-14(3,4)6-9)18-12-10(2)8-16-13(15)17-12/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine has a molecular weight of 268.79 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 79076530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).