4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine

C14H21ClN2O — CID 64730463

IUPAC4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(OC2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H21ClN2O/c1-8-5-9(2)7-12(6-8)18-14-10(3)13(15)16-11(4)17-14/h8-9,12H,5-7H2,1-4H3
InChIKeyZVBWUXFAJSCOOX-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.95
Rot. Bonds2

About 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine

4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine (PubChem CID 64730463) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine
PubChem CID64730463
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(OC2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H21ClN2O/c1-8-5-9(2)7-12(6-8)18-14-10(3)13(15)16-11(4)17-14/h8-9,12H,5-7H2,1-4H3
InChIKeyZVBWUXFAJSCOOX-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine (CID 64730463) is 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine is Cc1nc(Cl)c(C)c(OC2CC(C)CC(C)C2)n1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine?
The InChIKey is ZVBWUXFAJSCOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-8-5-9(2)7-12(6-8)18-14-10(3)13(15)16-11(4)17-14/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine?
4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine has a molecular weight of 268.79 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2,5-dimethylpyrimidine is sourced from PubChem (CID 64730463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).