2-chloro-5-cyclohexyloxy-4-methylpyrimidine

C11H15ClN2O — CID 167132041

IUPAC2-chloro-5-cyclohexyloxy-4-methylpyrimidine
SMILESCc1nc(Cl)ncc1OC1CCCCC1
InChIInChI=1S/C11H15ClN2O/c1-8-10(7-13-11(12)14-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyVPWVFGQSZLYSAJ-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.15
Rot. Bonds2

About 2-chloro-5-cyclohexyloxy-4-methylpyrimidine

2-chloro-5-cyclohexyloxy-4-methylpyrimidine (PubChem CID 167132041) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-5-cyclohexyloxy-4-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-cyclohexyloxy-4-methylpyrimidine
PubChem CID167132041
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-5-cyclohexyloxy-4-methylpyrimidine
SMILESCc1nc(Cl)ncc1OC1CCCCC1
InChIInChI=1S/C11H15ClN2O/c1-8-10(7-13-11(12)14-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyVPWVFGQSZLYSAJ-UHFFFAOYSA-N
XLogP3.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclohexyloxy-4-methylpyrimidine?
The IUPAC name of 2-chloro-5-cyclohexyloxy-4-methylpyrimidine (CID 167132041) is 2-chloro-5-cyclohexyloxy-4-methylpyrimidine.
What is the SMILES notation for 2-chloro-5-cyclohexyloxy-4-methylpyrimidine?
The canonical SMILES for 2-chloro-5-cyclohexyloxy-4-methylpyrimidine is Cc1nc(Cl)ncc1OC1CCCCC1.
What is the InChIKey of 2-chloro-5-cyclohexyloxy-4-methylpyrimidine?
The InChIKey is VPWVFGQSZLYSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-10(7-13-11(12)14-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 2-chloro-5-cyclohexyloxy-4-methylpyrimidine?
2-chloro-5-cyclohexyloxy-4-methylpyrimidine has a molecular weight of 226.71 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclohexyloxy-4-methylpyrimidine is sourced from PubChem (CID 167132041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).