3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol

C15H16N2O — CID 56868051

IUPAC3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol
SMILESCc1cc(C2CCC2)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C15H16N2O/c1-10-8-14(11-4-2-5-11)17-15(16-10)12-6-3-7-13(18)9-12/h3,6-9,11,18H,2,4-5H2,1H3
InChIKeyHEJMPSFVDTVPNI-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.43
Rot. Bonds2

About 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol

3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol (PubChem CID 56868051) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol
PubChem CID56868051
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol
SMILESCc1cc(C2CCC2)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C15H16N2O/c1-10-8-14(11-4-2-5-11)17-15(16-10)12-6-3-7-13(18)9-12/h3,6-9,11,18H,2,4-5H2,1H3
InChIKeyHEJMPSFVDTVPNI-UHFFFAOYSA-N
XLogP3.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol?
The IUPAC name of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol (CID 56868051) is 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol is Cc1cc(C2CCC2)nc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol?
The InChIKey is HEJMPSFVDTVPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-8-14(11-4-2-5-11)17-15(16-10)12-6-3-7-13(18)9-12/h3,6-9,11,18H,2,4-5H2,1H3.
What are the key properties of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol?
3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol has a molecular weight of 240.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)phenol is sourced from PubChem (CID 56868051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).