2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol

C17H20N2O2 — CID 1381234

IUPAC2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol
SMILESCc1cc(OC2CCCCC2)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H20N2O2/c1-12-11-16(21-13-7-3-2-4-8-13)19-17(18-12)14-9-5-6-10-15(14)20/h5-6,9-11,13,20H,2-4,7-8H2,1H3
InChIKeyIXSUBNKAZFHJJH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.87
Rot. Bonds3

About 2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol

2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol (PubChem CID 1381234) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol
PubChem CID1381234
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol
SMILESCc1cc(OC2CCCCC2)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H20N2O2/c1-12-11-16(21-13-7-3-2-4-8-13)19-17(18-12)14-9-5-6-10-15(14)20/h5-6,9-11,13,20H,2-4,7-8H2,1H3
InChIKeyIXSUBNKAZFHJJH-UHFFFAOYSA-N
XLogP3.87
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol?
The IUPAC name of 2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol (CID 1381234) is 2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol.
What is the SMILES notation for 2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol?
The canonical SMILES for 2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol is Cc1cc(OC2CCCCC2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol?
The InChIKey is IXSUBNKAZFHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-11-16(21-13-7-3-2-4-8-13)19-17(18-12)14-9-5-6-10-15(14)20/h5-6,9-11,13,20H,2-4,7-8H2,1H3.
What are the key properties of 2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol?
2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol has a molecular weight of 284.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyloxy-6-methylpyrimidin-2-yl)phenol is sourced from PubChem (CID 1381234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).