4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine

C15H23ClN2O — CID 80663304

IUPAC4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine
SMILESCc1cc(Cl)nc(COC2CC(C)CC(C)(C)C2)n1
InChIInChI=1S/C15H23ClN2O/c1-10-5-12(8-15(3,4)7-10)19-9-14-17-11(2)6-13(16)18-14/h6,10,12H,5,7-9H2,1-4H3
InChIKeyZGBIWEIRJUCVFQ-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.17
Rot. Bonds3

About 4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine

4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine (PubChem CID 80663304) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine
PubChem CID80663304
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine
SMILESCc1cc(Cl)nc(COC2CC(C)CC(C)(C)C2)n1
InChIInChI=1S/C15H23ClN2O/c1-10-5-12(8-15(3,4)7-10)19-9-14-17-11(2)6-13(16)18-14/h6,10,12H,5,7-9H2,1-4H3
InChIKeyZGBIWEIRJUCVFQ-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine (CID 80663304) is 4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine is Cc1cc(Cl)nc(COC2CC(C)CC(C)(C)C2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine?
The InChIKey is ZGBIWEIRJUCVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10-5-12(8-15(3,4)7-10)19-9-14-17-11(2)6-13(16)18-14/h6,10,12H,5,7-9H2,1-4H3.
What are the key properties of 4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine?
4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine has a molecular weight of 282.81 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyrimidine is sourced from PubChem (CID 80663304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).