2-cyclohexyloxy-4,5,6-trimethylpyrimidine

C13H20N2O — CID 177057450

IUPAC2-cyclohexyloxy-4,5,6-trimethylpyrimidine
SMILESCc1nc(OC2CCCCC2)nc(C)c1C
InChIInChI=1S/C13H20N2O/c1-9-10(2)14-13(15-11(9)3)16-12-7-5-4-6-8-12/h12H,4-8H2,1-3H3
InChIKeyQYYZJJSFOVZNEZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.11
Rot. Bonds2

About 2-cyclohexyloxy-4,5,6-trimethylpyrimidine

2-cyclohexyloxy-4,5,6-trimethylpyrimidine (PubChem CID 177057450) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-cyclohexyloxy-4,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name2-cyclohexyloxy-4,5,6-trimethylpyrimidine
PubChem CID177057450
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-cyclohexyloxy-4,5,6-trimethylpyrimidine
SMILESCc1nc(OC2CCCCC2)nc(C)c1C
InChIInChI=1S/C13H20N2O/c1-9-10(2)14-13(15-11(9)3)16-12-7-5-4-6-8-12/h12H,4-8H2,1-3H3
InChIKeyQYYZJJSFOVZNEZ-UHFFFAOYSA-N
XLogP3.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-4,5,6-trimethylpyrimidine?
The IUPAC name of 2-cyclohexyloxy-4,5,6-trimethylpyrimidine (CID 177057450) is 2-cyclohexyloxy-4,5,6-trimethylpyrimidine.
What is the SMILES notation for 2-cyclohexyloxy-4,5,6-trimethylpyrimidine?
The canonical SMILES for 2-cyclohexyloxy-4,5,6-trimethylpyrimidine is Cc1nc(OC2CCCCC2)nc(C)c1C.
What is the InChIKey of 2-cyclohexyloxy-4,5,6-trimethylpyrimidine?
The InChIKey is QYYZJJSFOVZNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-10(2)14-13(15-11(9)3)16-12-7-5-4-6-8-12/h12H,4-8H2,1-3H3.
What are the key properties of 2-cyclohexyloxy-4,5,6-trimethylpyrimidine?
2-cyclohexyloxy-4,5,6-trimethylpyrimidine has a molecular weight of 220.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-4,5,6-trimethylpyrimidine is sourced from PubChem (CID 177057450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).